methyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-5945 |
| Compound Name: | methyl 2-[3-(3,4-dichlorophenyl)prop-2-enamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 486.42 |
| Molecular Formula: | C25 H21 Cl2 N O3 S |
| Smiles: | COC(c1c2CCC(Cc2sc1NC(/C=C/c1ccc(c(c1)[Cl])[Cl])=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6581 |
| logD: | 5.5022 |
| logSw: | -6.6931 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.734 |
| InChI Key: | GFSHILHTGTXODB-QGZVFWFLSA-N |