N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine
Compound characteristics
| Compound ID: | Y042-2760 |
| Compound Name: | N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-alanine |
| Molecular Weight: | 358.4 |
| Molecular Formula: | C18 H22 N4 O4 |
| Smiles: | C[C@@H](C(O)=O)NC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.3642 |
| logD: | -2.2844 |
| logSw: | -2.0773 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.381 |
| InChI Key: | HJXUFNRLYWVCKB-HIFPTAJRSA-N |