1-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-proline
Chemical Structure Depiction of
1-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-proline
1-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-proline
Compound characteristics
| Compound ID: | Y042-2766 |
| Compound Name: | 1-{(1r,4S)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}-L-proline |
| Molecular Weight: | 384.43 |
| Molecular Formula: | C20 H24 N4 O4 |
| Smiles: | C1C[C@@H](C(O)=O)N(C1)C([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7419 |
| logD: | -1.96 |
| logSw: | -2.3727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.241 |
| InChI Key: | NOQYWZQPOUTWGT-KVULBXGLSA-N |