2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile)
Chemical Structure Depiction of
2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile)
2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile)
Compound characteristics
| Compound ID: | 3448-4272 |
| Compound Name: | 2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(4-oxo-3-azaspiro[5.5]undec-1-ene-1,5-dicarbonitrile) |
| Molecular Weight: | 548.73 |
| Molecular Formula: | C28 H32 N6 O2 S2 |
| Smiles: | C1CCC2(CC1)C(C#N)C(NC(=C2C#N)SCCCCSC1=C(C#N)C2(CCCCC2)C(C#N)C(N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7476 |
| logD: | 3.7249 |
| logSw: | -3.8012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.475 |
| InChI Key: | BCVHNKKPQKXEJY-UHFFFAOYSA-N |