2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | D483-1295 |
| Compound Name: | 2-({5-[(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc(CC2=C(C)N=C3C=CC(C)=CN3C2=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1892 |
| logD: | 3.1892 |
| logSw: | -3.3697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.593 |
| InChI Key: | VOIIUZQFNLSREU-UHFFFAOYSA-N |