ethyl 2-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2595-1319 |
| Compound Name: | ethyl 2-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 471.49 |
| Molecular Formula: | C22 H21 N3 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4428 |
| logD: | -0.2204 |
| logSw: | -2.9884 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.168 |
| InChI Key: | QQLKXDMUIOLMNH-UHFFFAOYSA-N |