2-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | 4300-0028 |
| Compound Name: | 2-[6-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 484.53 |
| Molecular Formula: | C23 H24 N4 O6 S |
| Smiles: | C(CCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)CCN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0545 |
| logD: | 0.6101 |
| logSw: | -2.4238 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.474 |
| InChI Key: | ZWBGSIDTFTXLES-UHFFFAOYSA-N |