4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-(4H-1,2,4-triazol-4-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-(4H-1,2,4-triazol-4-yl)cyclohexane-1-carboxamide
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-(4H-1,2,4-triazol-4-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-8762 |
| Compound Name: | 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-(4H-1,2,4-triazol-4-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 353.38 |
| Molecular Formula: | C17 H19 N7 O2 |
| Smiles: | C1C[C@H](CC[C@@H]1C(Nn1cnnc1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4421 |
| logD: | 1.4421 |
| logSw: | -2.096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.078 |
| InChI Key: | GTWPVUKKNMMDOY-UHFFFAOYSA-N |