3-(4-benzyl-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-benzyl-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-benzyl-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: | C741-0409 |
| Compound Name: | 3-(4-benzyl-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: | 563.7 |
| Molecular Formula: | C33 H37 N7 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6671 |
| logD: | 3.2329 |
| logSw: | -3.9307 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | UMEHDGJTZSUHIC-UHFFFAOYSA-N |