ethyl 2-(2-{[3-(4-nitrophenyl)prop-2-enoyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-{[3-(4-nitrophenyl)prop-2-enoyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-{[3-(4-nitrophenyl)prop-2-enoyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8008-9373 |
| Compound Name: | ethyl 2-(2-{[3-(4-nitrophenyl)prop-2-enoyl]oxy}butanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 486.54 |
| Molecular Formula: | C24 H26 N2 O7 S |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCCCc2s1)=O)OC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4543 |
| logD: | 3.1773 |
| logSw: | -5.431 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.887 |
| InChI Key: | AVRCPIMJGDXWRP-SFHVURJKSA-N |