3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)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-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0414 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 577.73 |
| Molecular Formula: | C34 H39 N7 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8247 |
| logD: | 2.6239 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | UJZFMVLHWGRGNT-UHFFFAOYSA-N |