N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3-(trifluoromethyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3-(trifluoromethyl)benzene-1-sulfonamide
N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3-(trifluoromethyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-2104 |
| Compound Name: | N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3-(trifluoromethyl)benzene-1-sulfonamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C17 H15 F3 N2 O2 S3 |
| Smiles: | CC(C)Sc1nc2ccc(cc2s1)NS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7573 |
| logD: | 5.6273 |
| logSw: | -5.7819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | ZJBVBRWSLFGYBS-UHFFFAOYSA-N |