ethyl 2-(2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6247 |
| Compound Name: | ethyl 2-(2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C21 H21 N3 O3 S3 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nccc(c2cccs2)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9168 |
| logD: | 2.8921 |
| logSw: | -4.6039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.057 |
| InChI Key: | ZOGJKSYMVRGKCJ-UHFFFAOYSA-N |