N-(2,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(2,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y040-2969 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | COc1ccc(c(c1)NC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9467 |
| logD: | 3.9442 |
| logSw: | -4.1834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.692 |
| InChI Key: | DSRJDJKYJAONCZ-UHFFFAOYSA-N |