4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Chemical Structure Depiction of
4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Compound characteristics
| Compound ID: | Y040-3170 |
| Compound Name: | 4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide |
| Molecular Weight: | 404.43 |
| Molecular Formula: | C21 H20 N6 O3 |
| Smiles: | C(CC(Nc1ccc(Cn2cncn2)cc1)=O)CN1C(c2ccccc2NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.127 |
| logD: | 1.1262 |
| logSw: | -2.1671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.585 |
| InChI Key: | IWXIBWFIQSXSPL-UHFFFAOYSA-N |