3-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
Chemical Structure Depiction of
3-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
3-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide
Compound characteristics
| Compound ID: | D433-0829 |
| Compound Name: | 3-chloro-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-phenylbenzamide |
| Molecular Weight: | 393.83 |
| Molecular Formula: | C20 H16 Cl N5 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cccc(c1)[Cl])=O)c1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8578 |
| logD: | 0.2052 |
| logSw: | -3.5424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | WSPNMRCNKHZOFT-UHFFFAOYSA-N |