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)-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
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)-N-[2-(trifluoromethyl)phenyl]acetamide
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)-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | D483-1786 |
| Compound Name: | 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)-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C22 H19 F3 N6 O2 S |
| Smiles: | CC1=C(Cc2nnc(n2C)SCC(Nc2ccccc2C(F)(F)F)=O)C(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0625 |
| logD: | 2.0625 |
| logSw: | -2.9729 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.376 |
| InChI Key: | XFIQIVRWISDOAC-UHFFFAOYSA-N |