3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
Chemical Structure Depiction of
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide
Compound characteristics
| Compound ID: | Y040-8700 |
| Compound Name: | 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}propanamide |
| Molecular Weight: | 375.39 |
| Molecular Formula: | C19 H17 N7 O2 |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(Nc1ccc(Cn2cncn2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2644 |
| logD: | 1.2644 |
| logSw: | -2.2138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.037 |
| InChI Key: | PPAPBOLLHMLSPW-UHFFFAOYSA-N |