ethyl 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-3071 |
| Compound Name: | ethyl 6-tert-butyl-2-[3-(3-chlorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 446.01 |
| Molecular Formula: | C24 H28 Cl N O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(/C=C/c1cccc(c1)[Cl])=O)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1276 |
| logD: | 4.9512 |
| logSw: | -6.4731 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | PDZJYSPRKNTLAF-MRXNPFEDSA-N |