ethyl 2-{2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8007-4200 |
| Compound Name: | ethyl 2-{2-[(4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 384.54 |
| Molecular Formula: | C16 H20 N2 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSC1=NCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5576 |
| logD: | 1.4798 |
| logSw: | -3.8296 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.299 |
| InChI Key: | XHSAGBLTWXDJDT-UHFFFAOYSA-N |