6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}hexanamide
Chemical Structure Depiction of
6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}hexanamide
6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}hexanamide
Compound characteristics
| Compound ID: | Y043-0378 |
| Compound Name: | 6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}hexanamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C22 H23 N7 O2 |
| Smiles: | C(CCC(Nc1ccc(Cn2cncn2)cc1)=O)CCN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0337 |
| logD: | 2.0337 |
| logSw: | -2.861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.037 |
| InChI Key: | ZQTNXFURCIKBAT-UHFFFAOYSA-N |