2-cyano-3,3-bis{[(2,5-dimethylphenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
Chemical Structure Depiction of
2-cyano-3,3-bis{[(2,5-dimethylphenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
2-cyano-3,3-bis{[(2,5-dimethylphenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | K291-0229 |
| Compound Name: | 2-cyano-3,3-bis{[(2,5-dimethylphenyl)methyl]sulfanyl}-N-(3-methylphenyl)prop-2-enamide |
| Molecular Weight: | 486.7 |
| Molecular Formula: | C29 H30 N2 O S2 |
| Smiles: | Cc1cccc(c1)NC(C(C#N)=C(SCc1cc(C)ccc1C)SCc1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 8.8401 |
| logD: | 8.8298 |
| logSw: | -5.5059 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.114 |
| InChI Key: | UVENPDHSALNEPQ-UHFFFAOYSA-N |