3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
Chemical Structure Depiction of
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | C741-0461 |
| Compound Name: | 3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide |
| Molecular Weight: | 501.63 |
| Molecular Formula: | C28 H35 N7 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCCCN4CCN(C)CC4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.2729 |
| logD: | 0.0683 |
| logSw: | -2.373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.478 |
| InChI Key: | JPWIAUIBQORBSB-UHFFFAOYSA-N |