ethyl ({6-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({6-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
ethyl ({6-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | D336-5985 |
| Compound Name: | ethyl ({6-[(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetate |
| Molecular Weight: | 430.59 |
| Molecular Formula: | C22 H26 N2 O3 S2 |
| Smiles: | [H][C@@]12CC3(C[C@@]([H])(C1)C[C@]([H])(C3)C2)C(Nc1ccc2c(c1)sc(n2)SCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0371 |
| logD: | 6.0369 |
| logSw: | -5.4409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.603 |
| InChI Key: | JAGBNUKEWWRHIH-UHFFFAOYSA-N |