methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3453-1728 |
| Compound Name: | methyl 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(C(=C\c3ccc(cc3)OC)\C#N)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7007 |
| logD: | -0.2076 |
| logSw: | -4.5671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.818 |
| InChI Key: | CXGLEFRTKFLOSU-CYBMUJFWSA-N |