N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0486 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 598.15 |
| Molecular Formula: | C33 H36 Cl N7 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCN4CCN(CC4)c4cc(ccc4C)[Cl])=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2495 |
| logD: | 3.8153 |
| logSw: | -4.3402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | FKKJHFMLBVQXEU-UHFFFAOYSA-N |