4-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]methyl}cyclohexane-1-carboxylic acid
4-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y040-8606 |
| Compound Name: | 4-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C19 H24 N4 O4 |
| Smiles: | C(CC(NC[C@H]1CC[C@@H](CC1)C(O)=O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9669 |
| logD: | -1.5935 |
| logSw: | -2.1512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.983 |
| InChI Key: | CAAFKAGWYKKKAT-UHFFFAOYSA-N |