| Catalog Number | ACM2131091319 |
| CAS | 2131091-31-9 |
| IUPAC Name | tert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate |
| Synonyms | 2131091-31-9;Tert-butyl 2-methyl-2-[5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-3-yl]propanoate;tert-butyl 2-methyl-2-(5-methyl-6-(oxazol-2-yl)-2,4-dioxo-1,4-dihydrothieno[2,3-d]pyrimidin-3(2H)-yl)propanoate;SCHEMBL19361556;AMY16865;BCP31899;ACN-053860;SB23238;CC1=C(SC2=C1C(=O)N(C(=O)N2)C(C)(C)C(=O)OC(C)(C)C)C1=NC=CO1 |
| Molecular Weight | 391.4g/mol |
| Molecular Formula | C18H21N3O5S |
| Canonical SMILES | CC1=C(SC2=C1C(=O)N(C(=O)N2)C(C)(C)C(=O)OC(C)(C)C)C3=NC=CO3 |
| InChI | InChI=1S/C18H21N3O5S/c1-9-10-13(27-11(9)12-19-7-8-25-12)20-16(24)21(14(10)22)18(5,6)15(23)26-17(2,3)4/h7-8H,1-6H3,(H,20,24) |
| InChI Key | YQKKPOHWXWJHFG-UHFFFAOYSA-N |
| Complexity | 647 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 391.12019195g/mol |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 7 |
| Monoisotopic Mass | 391.12019195g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 130Ų |
| X Log P3 | 2.6 |