diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]thiophene-2,4-dicarboxylate
diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 2595-1322 |
| Compound Name: | diethyl 3-methyl-5-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]thiophene-2,4-dicarboxylate |
| Molecular Weight: | 503.49 |
| Molecular Formula: | C22 H21 N3 O9 S |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(CCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9108 |
| logD: | -0.5743 |
| logSw: | -2.7667 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.001 |
| InChI Key: | KWQSNIVTXWYLSB-UHFFFAOYSA-N |