4-(5-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Chemical Structure Depiction of
4-(5-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
4-(5-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid
Compound characteristics
| Compound ID: | G628-0389 |
| Compound Name: | 4-(5-methyl-6-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)benzoic acid |
| Molecular Weight: | 443.38 |
| Molecular Formula: | C21 H16 F3 N5 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)ncn2)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9918 |
| logD: | 1.0203 |
| logSw: | -4.1754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.489 |
| InChI Key: | PEVKRTOEXAEGJI-KRWDZBQOSA-N |