methyl 6-methyl-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
methyl 6-methyl-2-[3-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-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: | 2798-0860 |
| Compound Name: | methyl 6-methyl-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: | CC1CCc2c(C(=O)OC)c(NC(CCN3C(c4cccc(c4C3=O)[N+]([O-])=O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4945 |
| logD: | -0.1688 |
| logSw: | -2.9455 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.589 |
| InChI Key: | XPZOHDAQKRUFMC-LLVKDONJSA-N |