4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y043-3598 |
| Compound Name: | 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | C(CNC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1877 |
| logD: | 2.1869 |
| logSw: | -2.893 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.983 |
| InChI Key: | KGGFGXCZFSCQBU-UHFFFAOYSA-N |