ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5695-1245 |
| Compound Name: | ethyl 2-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 406.54 |
| Molecular Formula: | C18 H18 N2 O3 S3 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CSc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8335 |
| logD: | 2.7679 |
| logSw: | -4.6355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.746 |
| InChI Key: | DSCRJHHTHYQEDM-UHFFFAOYSA-N |