N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Chemical Structure Depiction of
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
Compound characteristics
| Compound ID: | D345-0588 |
| Compound Name: | N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Smiles: | [H]N(C(COc1ccccc1[N+]([O-])=O)=O)c1nc2CCC(Cc2s1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9568 |
| logD: | 4.8743 |
| logSw: | -4.5857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.25 |
| InChI Key: | CXNLDAQVYIGHQL-GFCCVEGCSA-N |