ethyl 2-(2-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8007-8663 |
| Compound Name: | ethyl 2-(2-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 543.55 |
| Molecular Formula: | C25 H25 N3 O9 S |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)OC(CN1C(c2cccc(c2C1=O)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7618 |
| logD: | 0.2171 |
| logSw: | -3.5076 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.111 |
| InChI Key: | COXINRNHOJGKMT-INIZCTEOSA-N |