4-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
Chemical Structure Depiction of
4-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
4-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide
Compound characteristics
| Compound ID: | D433-0767 |
| Compound Name: | 4-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)benzamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccc(cc1)[Cl])=O)c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4188 |
| logD: | 0.7661 |
| logSw: | -3.9671 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | GRMRFWSEBCKFCQ-UHFFFAOYSA-N |