4-{6-[(2-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Chemical Structure Depiction of
4-{6-[(2-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{6-[(2-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Compound characteristics
| Compound ID: | G628-0494 |
| Compound Name: | 4-{6-[(2-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 409.83 |
| Molecular Formula: | C20 H16 Cl N5 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)ncn2)C(Nc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1975 |
| logD: | 0.226 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.791 |
| InChI Key: | FMYMIJHMORLRQV-KRWDZBQOSA-N |