2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | D483-1623 |
| Compound Name: | 2-({5-[(2,9-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | CCc1ccccc1NC(CSc1nnc(CC2=C(C)N=C3C(C)=CC=CN3C2=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3375 |
| logD: | 2.3375 |
| logSw: | -2.7046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.397 |
| InChI Key: | RBLFMWLDCOWJNF-UHFFFAOYSA-N |