2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 2595-0598 |
| Compound Name: | 2-[2-cyano-3-(4-methoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | COc1ccc(\C=C(/C#N)C(Nc2c(C(N)=O)c3CCCCc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5038 |
| logD: | -0.3343 |
| logSw: | -2.8833 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.703 |
| InChI Key: | UHTNDARHGWVNCH-UHFFFAOYSA-N |