methyl 2-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
methyl 2-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | Y040-2968 |
| Compound Name: | methyl 2-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)benzoate |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | COC(c1ccccc1NC([C@H]1CC[C@@H](CC1)CN1C(c2ccccc2N=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9878 |
| logD: | 3.9195 |
| logSw: | -4.3901 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.692 |
| InChI Key: | XCXWWZXWPIPYHD-UHFFFAOYSA-N |