6-(difluoromethyl)-2-{[(2-methoxy-5-{[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl)methyl]sulfanyl}-4-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
6-(difluoromethyl)-2-{[(2-methoxy-5-{[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl)methyl]sulfanyl}-4-methylpyridine-3-carbonitrile
6-(difluoromethyl)-2-{[(2-methoxy-5-{[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl)methyl]sulfanyl}-4-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-3408 |
| Compound Name: | 6-(difluoromethyl)-2-{[(2-methoxy-5-{[1-(2-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenyl)methyl]sulfanyl}-4-methylpyridine-3-carbonitrile |
| Molecular Weight: | 536.62 |
| Molecular Formula: | C27 H22 F2 N4 O2 S2 |
| Smiles: | Cc1ccccc1N1C(/C(=C/c2ccc(c(CSc3c(C#N)c(C)cc(C(F)F)n3)c2)OC)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6561 |
| logD: | 5.6521 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.758 |
| InChI Key: | YMFCKAOJNDDQTL-UHFFFAOYSA-N |