2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-5269 |
| Compound Name: | 2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 242.34 |
| Molecular Formula: | C14 H14 N2 S |
| Smiles: | C1CCc2c(C#N)c(n3cccc3)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2214 |
| logD: | 4.2214 |
| logSw: | -4.2878 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 22.601 |
| InChI Key: | BPFUZHFWEMTFCU-UHFFFAOYSA-N |