ethyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4112-0943 |
| Compound Name: | ethyl 2-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CCN1C(c2ccccc2C1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8532 |
| logD: | 1.19 |
| logSw: | -4.1073 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.419 |
| InChI Key: | IXWHOUJXFUPRFA-UHFFFAOYSA-N |