3-{4-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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: | C741-0533 |
| Compound Name: | 3-{4-[(4-fluorophenyl)methyl]-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: | 597.69 |
| Molecular Formula: | C33 H36 F N7 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CCc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.7997 |
| logD: | 2.2136 |
| logSw: | -3.5675 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.806 |
| InChI Key: | MJHQXPOTJXIJPF-UHFFFAOYSA-N |