3-{2-[(3-chlorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-{2-[(3-chlorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{2-[(3-chlorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L940-0028 |
| Compound Name: | 3-{2-[(3-chlorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 439.9 |
| Molecular Formula: | C22 H22 Cl N5 O3 |
| Smiles: | CC(C)NC(CCN1C2=NN(Cc3cccc(c3)[Cl])C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0356 |
| logD: | 3.0356 |
| logSw: | -3.7892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.631 |
| InChI Key: | FUCDPLQFNVEYKE-UHFFFAOYSA-N |