2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | K780-1025 |
| Compound Name: | 2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 228.31 |
| Molecular Formula: | C13 H12 N2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7254 |
| logD: | 3.7254 |
| logSw: | -4.3517 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 22.27 |
| InChI Key: | ILTJBWKQAIWNLU-UHFFFAOYSA-N |