N-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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-(2,5-difluorophenyl)-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: | D483-1481 |
| Compound Name: | N-(2,5-difluorophenyl)-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: | 470.5 |
| Molecular Formula: | C22 H20 F2 N6 O2 S |
| Smiles: | CC1C=CN2C(C=1)=NC(C)=C(Cc1nnc(n1C)SCC(Nc1cc(ccc1F)F)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 2.0265 |
| logD: | 2.0165 |
| logSw: | -2.7113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.376 |
| InChI Key: | LDOUOTIQQHSSGQ-UHFFFAOYSA-N |