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)-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
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)-N-(3-methoxyphenyl)acetamide
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)-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D483-1392 |
| Compound Name: | 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)-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 464.55 |
| Molecular Formula: | C23 H24 N6 O3 S |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)SCC(Nc1cccc(c1)OC)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.9256 |
| logD: | 1.9256 |
| logSw: | -2.7204 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.618 |
| InChI Key: | RAKDAGMYNKANHU-UHFFFAOYSA-N |