ethyl 3-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 3-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
ethyl 3-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y042-8991 |
| Compound Name: | ethyl 3-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | CCOC(c1cccc(c1)NC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7467 |
| logD: | 4.7466 |
| logSw: | -4.5237 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.97 |
| InChI Key: | RAKVISILOXPROI-UHFFFAOYSA-N |