4-{5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Chemical Structure Depiction of
4-{5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Compound characteristics
| Compound ID: | G628-0319 |
| Compound Name: | 4-{5-methyl-6-[(2-methylphenyl)carbamoyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C21 H19 N5 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(O)=O)n2c(N1)ncn2)C(Nc1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9416 |
| logD: | -0.0299 |
| logSw: | -3.1709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.791 |
| InChI Key: | MVTIPZQPMUPAFS-SFHVURJKSA-N |