3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}propanamide
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0398 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 584.12 |
| Molecular Formula: | C32 H34 Cl N7 O2 |
| Smiles: | C(CNC(CCc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)=O)CN1CCN(CC1)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2503 |
| logD: | 2.6642 |
| logSw: | -3.844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.262 |
| InChI Key: | XXOMJZGWUNFEBR-UHFFFAOYSA-N |