4-{6-[(2-ethoxyphenyl)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-ethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
4-{6-[(2-ethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid
Compound characteristics
| Compound ID: | G628-0529 |
| Compound Name: | 4-{6-[(2-ethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoic acid |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | CCOc1ccccc1NC(C1C(c2ccc(cc2)C(O)=O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3214 |
| logD: | 0.3499 |
| logSw: | -3.4279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.002 |
| InChI Key: | MKCMQWHCBWJLHV-IBGZPJMESA-N |