3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)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-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0413 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 577.73 |
| Molecular Formula: | C34 H39 N7 O2 |
| Smiles: | CC1CN(CCCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)CCN1c1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5712 |
| logD: | 3.0032 |
| logSw: | -3.8558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.48 |
| InChI Key: | JWYUSUYWCWKYRT-SANMLTNESA-N |