N-(1,3-benzothiazol-2-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(1,3-benzothiazol-2-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y042-9015 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | C1C[C@H](CC[C@@H]1C(Nc1nc2ccccc2s1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9127 |
| logD: | 4.9125 |
| logSw: | -4.8943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.977 |
| InChI Key: | FVZDEXGYAGFZKO-UHFFFAOYSA-N |