4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Chemical Structure Depiction of
4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Compound characteristics
| Compound ID: | Y042-6026 |
| Compound Name: | 4-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C21 H20 N6 O2 |
| Smiles: | C(CC1NC(c2ccccc2N=1)=O)CC(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7723 |
| logD: | 0.7694 |
| logSw: | -2.2827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.026 |
| InChI Key: | PHUGHAGFTUTILT-UHFFFAOYSA-N |