4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Chemical Structure Depiction of
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Compound characteristics
| Compound ID: | Y040-2918 |
| Compound Name: | 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide |
| Molecular Weight: | 389.42 |
| Molecular Formula: | C20 H19 N7 O2 |
| Smiles: | C(CC(Nc1ccc(Cn2cncn2)cc1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0236 |
| logD: | 1.0236 |
| logSw: | -2.2259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.037 |
| InChI Key: | VNLPFBJJSMDUGT-UHFFFAOYSA-N |