N-{2-[4-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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-(2,3-dimethylphenyl)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: | C741-0485 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)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: | 577.73 |
| Molecular Formula: | C34 H39 N7 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCN4CCN(CC4)c4cccc(C)c4C)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0905 |
| logD: | 3.6563 |
| logSw: | -4.1408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | USCJLILFUIMTBE-UHFFFAOYSA-N |