4-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
4-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y042-8814 |
| Compound Name: | 4-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1C(O)=O)CNC(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1018 |
| logD: | -1.4585 |
| logSw: | -2.2973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.004 |
| InChI Key: | LFCCWPSPKRFAMP-UHFFFAOYSA-N |