methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C322-0004 |
| Compound Name: | methyl 2-[3-(4-methoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C21 H23 N O4 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(/C=C/c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0201 |
| logD: | 2.8437 |
| logSw: | -4.7383 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.88 |
| InChI Key: | AUBIFUSPDKOVKM-UHFFFAOYSA-N |