ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate
Compound characteristics
| Compound ID: | 4142-0876 |
| Compound Name: | ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C28 H28 N2 O6 S |
| Smiles: | CCOC(c1c2CC(C)(C)OCc2sc1NC(c1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3959 |
| logD: | -0.4596 |
| logSw: | -3.9537 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.981 |
| InChI Key: | OMVOMOYPMWWMBY-UHFFFAOYSA-N |