6-[(4-chlorophenyl)methyl]-5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[(4-chlorophenyl)methyl]-5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1565 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-5-methyl-2-{[3-(trifluoromethyl)anilino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C21 H17 Cl F3 N5 O |
| Smiles: | CC1=C(Cc2ccc(cc2)[Cl])C(n2c(N1)nc(CNc1cccc(c1)C(F)(F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8651 |
| logD: | 3.7447 |
| logSw: | -4.9306 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.477 |
| InChI Key: | ZEACMCMVXBLJII-UHFFFAOYSA-N |