methyl 2-[3-(4-ethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-ethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[3-(4-ethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5596-0562 |
| Compound Name: | methyl 2-[3-(4-ethoxyphenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C21 H23 N O4 S |
| Smiles: | CCOc1ccc(/C=C/C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9107 |
| logD: | 2.7343 |
| logSw: | -4.6743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.129 |
| InChI Key: | XUCPDBRYUZZZIK-UHFFFAOYSA-N |