N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Chemical Structure Depiction of
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine
Compound characteristics
| Compound ID: | Y042-2758 |
| Compound Name: | N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-beta-alanine |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | C(CNC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3545 |
| logD: | -1.3412 |
| logSw: | -2.0663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.035 |
| InChI Key: | VZCQUKDVDRKMGJ-UHFFFAOYSA-N |