N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0552 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 595.72 |
| Molecular Formula: | C34 H38 F N7 O2 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(CCc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8537 |
| logD: | 2.653 |
| logSw: | -3.8927 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | IGMYACMOSHZNBY-UHFFFAOYSA-N |