ethyl 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
ethyl 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 5486-0222 |
Compound Name: | ethyl 2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamido]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
Molecular Weight: | 426.49 |
Molecular Formula: | C22 H22 N2 O5 S |
Smiles: | [H]N(C(CCCN1C(c2ccccc2C1=O)=O)=O)c1c(C(=O)OCC)c2CCCc2s1 |
Stereo: | ACHIRAL |
logP: | 2.6938 |
logD: | 0.3495 |
logSw: | -3.2504 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.454 |
InChI Key: | JYVXHMRULMGITC-UHFFFAOYSA-N |