N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Chemical Structure Depiction of
N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine
Compound characteristics
| Compound ID: | Y042-2765 |
| Compound Name: | N-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-phenylalanine |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | C1C[C@H](CC[C@@H]1C(N[C@@H](Cc1ccccc1)C(O)=O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.4478 |
| logD: | -1.1428 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.577 |
| InChI Key: | BXOSLHOJVFPWDV-NGICGMGXSA-N |