4-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
Chemical Structure Depiction of
4-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
4-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid
Compound characteristics
| Compound ID: | Y042-2759 |
| Compound Name: | 4-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)butanoic acid |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C19 H24 N4 O4 |
| Smiles: | C(CC(O)=O)CNC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7684 |
| logD: | -1.0525 |
| logSw: | -2.41 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.035 |
| InChI Key: | ZNTQZVSKOODDFO-UHFFFAOYSA-N |