methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Chemical Structure Depiction of
methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Compound characteristics
| Compound ID: | C202-1474 |
| Compound Name: | methyl 4-{6-[(2-methoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2)C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1424 |
| logD: | 3.1405 |
| logSw: | -3.4553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.188 |
| InChI Key: | JJLXTDDOHNWKPP-IBGZPJMESA-N |