2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
Chemical Structure Depiction of
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | 6743-0004 |
| Compound Name: | 2-{[2-(1,3-benzothiazole-2-sulfonyl)ethyl]sulfanyl}-1,3-benzoxazole |
| Molecular Weight: | 376.47 |
| Molecular Formula: | C16 H12 N2 O3 S3 |
| Smiles: | C(CS(c1nc2ccccc2s1)(=O)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1586 |
| logD: | 4.1586 |
| logSw: | -4.4247 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.162 |
| InChI Key: | WBHULXDBAWZGRT-UHFFFAOYSA-N |