N-(3-chloro-2-methylphenyl)-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)acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-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)acetamide
N-(3-chloro-2-methylphenyl)-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)acetamide
Compound characteristics
| Compound ID: | D483-1448 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-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)acetamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)SCC(Nc1cccc(c1C)[Cl])=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.6665 |
| logD: | 2.6663 |
| logSw: | -3.4712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.376 |
| InChI Key: | JKRHRCWPOIVPFP-UHFFFAOYSA-N |