{1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}acetic acid
Chemical Structure Depiction of
{1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}acetic acid
{1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}acetic acid
Compound characteristics
| Compound ID: | Y042-4753 |
| Compound Name: | {1-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}acetic acid |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C16 H19 N3 O3 |
| Smiles: | C1CCC(CC1)(CC(O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8486 |
| logD: | -0.9108 |
| logSw: | -2.5161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.509 |
| InChI Key: | VWCWFEHRCLHIIT-UHFFFAOYSA-N |