1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrole-2-carbonitrile
1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8755-0091 |
| Compound Name: | 1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 253.32 |
| Molecular Formula: | C14 H11 N3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(n1cccc1C#N)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6009 |
| logD: | 3.6009 |
| logSw: | -3.9227 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 37.87 |
| InChI Key: | OMMAVSBALOLWTH-UHFFFAOYSA-N |