3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}propanamide
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}propanamide
Compound characteristics
| Compound ID: | C741-0650 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}propanamide |
| Molecular Weight: | 598.15 |
| Molecular Formula: | C33 H36 Cl N7 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(CCc2nnc3N(Cc4ccc(cc4)[Cl])C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2618 |
| logD: | 3.8276 |
| logSw: | -4.5003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | GBNSXABCYXKPOD-UHFFFAOYSA-N |