3-{2-[(2-chloro-4-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-{2-[(2-chloro-4-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
3-{2-[(2-chloro-4-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | L940-0012 |
| Compound Name: | 3-{2-[(2-chloro-4-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C25 H25 Cl F N5 O3 |
| Smiles: | C1CCC(CC1)NC(CCN1C2=NN(Cc3ccc(cc3[Cl])F)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3699 |
| logD: | 4.3699 |
| logSw: | -4.5506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.11 |
| InChI Key: | JXRKAQMPOUUPDS-UHFFFAOYSA-N |