N-{2-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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: | C741-0545 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)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: | 588.08 |
| Molecular Formula: | C31 H31 Cl F N7 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)C(NCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1562 |
| logD: | 3.0324 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.262 |
| InChI Key: | ILCQTSKSHQTAQO-UHFFFAOYSA-N |