| Catalog Number | ACM1434635547 |
| CAS | 1434635-54-7 |
| IUPAC Name | 2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid |
| Synonyms | Firsocostat;ND-630;1434635-54-7;GS-ACC;UNII-XE10NJQ95M;NDI-010976;GS-0976;XE10NJQ95M;(R)-2-(1-(2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)-2-methylpropanoic acid;1,4-dihydro-1-[(2R)-2-(2-methoxyphenyl)-2-[(tetrahydro-2H-pyran-4-yl)oxy]ethyl]-alpha,alpha,5-trimethyl-6-(2-oxazolyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-3(2H)-acetic acid;2-(1-((2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl)-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno(2,3-d)pyrimidin-3-yl)-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid;Firsocostat [USAN];Firsocostat (USAN/INN);Firsocostat (GS-0976);SCHEMBL14945041;GTPL10645;AMY16826;EX-A2586;Firsocostat(ND-630,GS-0976);ND 630;ND630;s8893;WHO 10738;ZINC207531097;ACN-053192;CS-6509;SB18000;AC-31460;BS-15388;HY-16901;ND-630; NDI-010976; Firsocostat;D11640;1,4-Dihydro-1-((2R)-2-(2-methoxyphenyl)-2-((tetrahydro-2H-pyran-4-yl)oxy)ethyl)-alpha,alpha,5-trimethyl-6-(2-oxazolyl)-2,4-dioxothieno(2,3-d)pyrimidine-3(2H)-acetic acid;2-[1-[(R)-beta-[(Tetrahydro-2H-pyran-4-yl)oxy]-2-methoxyphenethyl]-2,4-dioxo-5-methyl-6-(oxazole-2-yl)-1,2-dihydrothieno[2,3-d]pyrimidine-3(4H)-yl]-2-methylpropanoic acid |
| Molecular Weight | 569.6g/mol |
| Molecular Formula | C28H31N3O8S |
| Canonical SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5 |
| InChI | InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1 |
| InChI Key | ZZWWXIBKLBMSCS-FQEVSTJZSA-N |
| Complexity | 947 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 569.18318613g/mol |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 10 |
| Monoisotopic Mass | 569.18318613g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 160Ų |
| UNII | XE10NJQ95M |
| X Log P3 | 3.2 |