ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-1373 |
| Compound Name: | ethyl 2-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzamido]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C28 H28 N2 O5 S |
| Smiles: | CCOC(c1c2CC(C)CCc2sc1NC(c1ccc(cc1)N1C(C2C3CC(C=C3)C2C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0352 |
| logD: | 0.2005 |
| logSw: | -4.4917 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.284 |
| InChI Key: | PQIBBLOREVCMCB-UHFFFAOYSA-N |