2-chloro-N-{[2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-chloro-N-{[2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
2-chloro-N-{[2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | D483-1794 |
| Compound Name: | 2-chloro-N-{[2-({4-methyl-5-[(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)Sc2ccccc2CNC(C[Cl])=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8049 |
| logD: | 1.8049 |
| logSw: | -2.293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.396 |
| InChI Key: | IOTIPCQVUSYPJL-UHFFFAOYSA-N |