4-(4-methoxyphenyl)-2-sulfanylidene-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
4-(4-methoxyphenyl)-2-sulfanylidene-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
4-(4-methoxyphenyl)-2-sulfanylidene-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 4478-7296 |
| Compound Name: | 4-(4-methoxyphenyl)-2-sulfanylidene-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C18 H18 N2 O S |
| Smiles: | COc1ccc(cc1)C1=C(C#N)C(NC2CCCCCC1=2)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2439 |
| logD: | 2.6225 |
| logSw: | -4.1825 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.664 |
| InChI Key: | HXJZWDCYKWUEAE-UHFFFAOYSA-N |