3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide
Chemical Structure Depiction of
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide
3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide
Compound characteristics
| Compound ID: | C741-0597 |
| Compound Name: | 3-{4-[(4-chlorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4-difluorophenyl)propanamide |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C25 H18 Cl F2 N5 O2 |
| Smiles: | C(Cc1nnc2N(Cc3ccc(cc3)[Cl])C(c3ccccc3n12)=O)C(Nc1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1506 |
| logD: | 4.1351 |
| logSw: | -4.6087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.856 |
| InChI Key: | ZXHMXAAJLOPUAY-UHFFFAOYSA-N |