methyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | C322-0009 |
| Compound Name: | methyl 2-[3-(3,4-dimethoxyphenyl)prop-2-enamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C22 H25 N O5 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(/C=C/c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7436 |
| logD: | 2.5672 |
| logSw: | -4.7045 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.597 |
| InChI Key: | NDDBHCIMTBCSLY-UHFFFAOYSA-N |