ethyl 2-(2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y502-6564 |
| Compound Name: | ethyl 2-(2-{[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 532.48 |
| Molecular Formula: | C23 H22 Br N3 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1nccc(c2ccc(cc2)[Br])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0994 |
| logD: | 4.0748 |
| logSw: | -5.5068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.039 |
| InChI Key: | QIIQXHXSVPWTNT-UHFFFAOYSA-N |