2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-1,3-benzothiazole
Chemical Structure Depiction of
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-1,3-benzothiazole
2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-1,3-benzothiazole
Compound characteristics
| Compound ID: | 4379-0592 |
| Compound Name: | 2-{[2-(4-tert-butylbenzene-1-sulfonyl)ethyl]sulfanyl}-1,3-benzothiazole |
| Molecular Weight: | 391.57 |
| Molecular Formula: | C19 H21 N O2 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)S(CCSc1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6988 |
| logD: | 5.6988 |
| logSw: | -5.6833 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.085 |
| InChI Key: | PLAYGPWQHUCWCO-UHFFFAOYSA-N |