4-{6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Chemical Structure Depiction of
4-{6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Compound characteristics
| Compound ID: | G628-0105 |
| Compound Name: | 4-{6-[(4-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)ncn2)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9309 |
| logD: | -0.0406 |
| logSw: | -3.4559 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.033 |
| InChI Key: | TYTPBLMDVQNIMU-SFHVURJKSA-N |