2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8013-1178 |
| Compound Name: | 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | C1Cc2c(C#N)c(N3C(C4C5CC(C=C5)C4C3=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1386 |
| logD: | 2.1386 |
| logSw: | -2.1432 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.136 |
| InChI Key: | CLCLLWZMEUUPMJ-UHFFFAOYSA-N |