N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}glycine
Chemical Structure Depiction of
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}glycine
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}glycine
Compound characteristics
| Compound ID: | Y042-2757 |
| Compound Name: | N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}glycine |
| Molecular Weight: | 344.37 |
| Molecular Formula: | C17 H20 N4 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1C(NCC(O)=O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0582 |
| logD: | -2.828 |
| logSw: | -2.0441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.193 |
| InChI Key: | JWPROVFPLONLBF-UHFFFAOYSA-N |