3-{4-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)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: | C741-0722 |
| Compound Name: | 3-{4-[(2-chlorophenyl)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: | 522.05 |
| Molecular Formula: | C27 H32 Cl N7 O2 |
| Smiles: | CN1CCN(CCCNC(CCc2nnc3N(Cc4ccccc4[Cl])C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.3334 |
| logD: | 0.1288 |
| logSw: | -2.9328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.478 |
| InChI Key: | IBTZJLVVOHZPBM-UHFFFAOYSA-N |