ethyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-8516 |
| Compound Name: | ethyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 422.34 |
| Molecular Formula: | C19 H20 Br N O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cccc(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4224 |
| logD: | 0.8891 |
| logSw: | -5.4979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.798 |
| InChI Key: | IGAXBSQFTXHZID-LLVKDONJSA-N |