2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | Y202-7250 |
| Compound Name: | 2-[1,3-dioxo-8-(propan-2-ylidene)octahydro-2H-4,7-methanoisoindol-2-yl]-5-methyl-4-[4-(propan-2-yl)phenyl]thiophene-3-carbonitrile |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | CC(C)c1ccc(cc1)c1c(C#N)c(N2C(C3C4CCC(C3C2=O)C4=C(C)C)=O)sc1C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3461 |
| logD: | 5.3461 |
| logSw: | -5.5229 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.578 |
| InChI Key: | DVJCYWWUKJRSJW-UHFFFAOYSA-N |