N-(2-{[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
N-(2-{[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide
Compound characteristics
| Compound ID: | M070-1679 |
| Compound Name: | N-(2-{[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)ethanesulfonamide |
| Molecular Weight: | 442.62 |
| Molecular Formula: | C18 H26 N4 O3 S3 |
| Smiles: | CCCN1CCN(CC1)C(CSc1nc2ccc(cc2s1)NS(CC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8508 |
| logD: | 2.7134 |
| logSw: | -3.4006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.779 |
| InChI Key: | UPBREWQJJPAYNJ-UHFFFAOYSA-N |