methyl 4-{6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Chemical Structure Depiction of
methyl 4-{6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
methyl 4-{6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Compound characteristics
| Compound ID: | K832-3249 |
| Compound Name: | methyl 4-{6-[(4-chlorophenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate |
| Molecular Weight: | 423.86 |
| Molecular Formula: | C21 H18 Cl N5 O3 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7858 |
| logD: | 3.7839 |
| logSw: | -4.7107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.255 |
| InChI Key: | TWPSJDDYKQEMMK-SFHVURJKSA-N |