| Catalog Number | ACM878385843 |
| CAS | 878385-84-3 |
| IUPAC Name | N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide |
| Synonyms | AZD-5069;878385-84-3;AZD5069;UNII-4ADT8JXB9S;4ADT8JXB9S;N-(2-((2,3-difluorobenzyl)thio)-6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)pyrimidin-4-yl)azetidine-1-sulfonamide;N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[(2R,3S)-3,4-dihydroxybutan-2-yl]oxypyrimidin-4-yl]azetidine-1-sulfonamide;N-(2-(((2,3-Difluorophenyl)methyl)thio)-6-(((1R,2S)-2,3-dihydroxy-1-methylpropyl)oxy)-4-pyrimidinyl)-1-azetidinesulfonamide;N-[2-[[(2,3-Difluorophenyl)methyl]thio]-6-{[(1R,2S)-2,3-dihydroxy-1-methylpropyl]oxy}-4-pyrimidinyl]-1-azetidinesulfonamide;SCHEMBL345883;GTPL8948;CHEMBL4562140;AZD 5069 [WHO-DD];AMY16839;EX-A2672;NSC802548;s6645;ZB1518;ZINC113629761;CS-6786;NSC-802548;SB19678;AC-31712;BS-17745;HY-19855;Q27074753 |
| Molecular Weight | 476.5g/mol |
| Molecular Formula | C18H22F2N4O5S2 |
| Canonical SMILES | CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F |
| InChI | InChI=1S/C18H22F2N4O5S2/c1-11(14(26)9-25)29-16-8-15(23-31(27,28)24-6-3-7-24)21-18(22-16)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,25-26H,3,6-7,9-10H2,1H3,(H,21,22,23)/t11-,14+/m1/s1 |
| InChI Key | QZECRCLSIGFCIO-RISCZKNCSA-N |
| Complexity | 670 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 476.09996849g/mol |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 12 |
| Monoisotopic Mass | 476.09996849g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 159Ų |
| UNII | 4ADT8JXB9S |
| X Log P3 | 1.5 |