2-(dodecylsulfanyl)-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Chemical Structure Depiction of
2-(dodecylsulfanyl)-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
2-(dodecylsulfanyl)-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile
Compound characteristics
| Compound ID: | 4088-0398 |
| Compound Name: | 2-(dodecylsulfanyl)-9-methyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile |
| Molecular Weight: | 430.66 |
| Molecular Formula: | C24 H38 N4 O S |
| Smiles: | CCCCCCCCCCCCSC1=C(C#N)C2(CCN(C)CC2)C(C#N)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.753 |
| logD: | 5.6936 |
| logSw: | -5.1106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.969 |
| InChI Key: | XIMWMUVHOWYDMM-FQEVSTJZSA-N |