ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl](4-methylbenzene-1-sulfonyl)amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl](4-methylbenzene-1-sulfonyl)amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl](4-methylbenzene-1-sulfonyl)amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0381 |
| Compound Name: | ethyl 2-{[2-(4-bromophenyl)-2-oxoethyl](4-methylbenzene-1-sulfonyl)amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 576.53 |
| Molecular Formula: | C26 H26 Br N O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1N(CC(c1ccc(cc1)[Br])=O)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5421 |
| logD: | 6.5421 |
| logSw: | -5.6754 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.782 |
| InChI Key: | XQHWECBDXGZHJQ-UHFFFAOYSA-N |