N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | D345-0591 |
| Compound Name: | N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | [H]N(C(c1ccc(cc1)[N+]([O-])=O)=O)c1nc2CCC(Cc2s1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.241 |
| logD: | 4.2471 |
| logSw: | -5.0341 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.179 |
| InChI Key: | CIGONWDLTMECCH-GFCCVEGCSA-N |