N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-3,5-dinitrobenzamide
N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 3560-1921 |
| Compound Name: | N-{2-[(cyclohexanecarbonyl)amino]-1,3-benzothiazol-6-yl}-3,5-dinitrobenzamide |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C21 H19 N5 O6 S |
| Smiles: | C1CCC(CC1)C(Nc1nc2ccc(cc2s1)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9772 |
| logD: | 4.8245 |
| logSw: | -4.821 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.137 |
| InChI Key: | FHBSNJSTEPYXGU-UHFFFAOYSA-N |