N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-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-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-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: | C741-0547 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 581.69 |
| Molecular Formula: | C33 H36 F N7 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(CCc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.6961 |
| logD: | 3.262 |
| logSw: | -3.9302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.961 |
| InChI Key: | YGNMCRBDKBRBHO-UHFFFAOYSA-N |