N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-phenylmethanesulfonamide
Chemical Structure Depiction of
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-phenylmethanesulfonamide
N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | M070-2188 |
| Compound Name: | N-{2-[(2-methylpropyl)sulfanyl]-1,3-benzothiazol-6-yl}-1-phenylmethanesulfonamide |
| Molecular Weight: | 392.56 |
| Molecular Formula: | C18 H20 N2 O2 S3 |
| Smiles: | CC(C)CSc1nc2ccc(cc2s1)NS(Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3088 |
| logD: | 5.149 |
| logSw: | -5.3669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.597 |
| InChI Key: | UNHKFWCVNRPUBH-UHFFFAOYSA-N |