2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3453-1731 |
| Compound Name: | 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC1CCc2c(C(N)=O)c(NC(C(=C\c3ccc(cc3)OC)\C#N)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9378 |
| logD: | 0.0997 |
| logSw: | -3.6318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.703 |
| InChI Key: | TXCDZICBWXZKTM-GFCCVEGCSA-N |