ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8010-0204 |
| Compound Name: | ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-5-phenylthiophene-3-carboxylate |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C22 H18 N2 O3 S3 |
| Smiles: | CCOC(c1cc(c2ccccc2)sc1NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1871 |
| logD: | 6.1763 |
| logSw: | -5.4915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.474 |
| InChI Key: | WNZCGCUKFJSRQY-UHFFFAOYSA-N |