N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-4-nitrobenzamide
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | Y508-0618 |
| Compound Name: | N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-4-nitrobenzamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | C1CCC(CC1)C(Nc1nc2ccc(cc2s1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9384 |
| logD: | 4.9369 |
| logSw: | -4.8929 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.756 |
| InChI Key: | HSSNRAVGGCBCKZ-UHFFFAOYSA-N |