2-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-4456 |
| Compound Name: | 2-{2-[(hydroxyimino)methyl]-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 271.34 |
| Molecular Formula: | C14 H13 N3 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(n1cccc1/C=N/O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6523 |
| logD: | 3.6478 |
| logSw: | -4.1568 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.829 |
| InChI Key: | XAHBNRJWZMMMSW-UHFFFAOYSA-N |