3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide
Compound characteristics
| Compound ID: | C741-0630 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}propanamide |
| Molecular Weight: | 602.11 |
| Molecular Formula: | C32 H33 Cl F N7 O2 |
| Smiles: | C(CNC(CCc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 3.4399 |
| logD: | 3.1087 |
| logSw: | -4.1722 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | UXMVXLKBDAGBLQ-UHFFFAOYSA-N |