2-chloro-N-{[2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-chloro-N-{[2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
2-chloro-N-{[2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | D483-1456 |
| Compound Name: | 2-chloro-N-{[2-({5-[(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)Sc1ccccc1CNC(C[Cl])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.1173 |
| logD: | 2.1172 |
| logSw: | -2.5895 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.396 |
| InChI Key: | BWHNHXBDVIAUPS-UHFFFAOYSA-N |