3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0401 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 579.7 |
| Molecular Formula: | C33 H37 N7 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7706 |
| logD: | 2.1845 |
| logSw: | -3.5301 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.806 |
| InChI Key: | KTULWUBLDCSIBM-UHFFFAOYSA-N |