N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Chemical Structure Depiction of
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Compound characteristics
| Compound ID: | Y042-8844 |
| Compound Name: | N-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9106 |
| logD: | -1.6765 |
| logSw: | -2.5999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.57 |
| InChI Key: | XPFJVRRUJNMMRX-RMYJWEKJSA-N |