4-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)methyl]cyclohexane-1-carboxylic acid
4-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8849 |
| Compound Name: | 4-[({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Smiles: | C1C[C@H](CC[C@@H]1C(O)=O)CNC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1617 |
| logD: | 0.6014 |
| logSw: | -3.5156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.138 |
| InChI Key: | JEJZUUQNBALKGP-UHFFFAOYSA-N |