N-(5-chloro-2-methoxyphenyl)-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)acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-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)acetamide
N-(5-chloro-2-methoxyphenyl)-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)acetamide
Compound characteristics
| Compound ID: | D483-1802 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-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)acetamide |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C22 H21 Cl N6 O3 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2cc(ccc2OC)[Cl])=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7997 |
| logD: | 1.7961 |
| logSw: | -2.924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.007 |
| InChI Key: | MMCYNQYHDNETKN-UHFFFAOYSA-N |