6-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)hexanoic acid
Chemical Structure Depiction of
6-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)hexanoic acid
6-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)hexanoic acid
Compound characteristics
| Compound ID: | Y042-8840 |
| Compound Name: | 6-({4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}amino)hexanoic acid |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C21 H28 N4 O4 |
| Smiles: | C(CCC(O)=O)CCNC([C@@H]1CC[C@H](CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4397 |
| logD: | -0.3885 |
| logSw: | -2.8229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.035 |
| InChI Key: | GKNMEKMEKJKKRI-UHFFFAOYSA-N |