ethyl 3-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-cyanoprop-2-enoate
Chemical Structure Depiction of
ethyl 3-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-cyanoprop-2-enoate
ethyl 3-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-cyanoprop-2-enoate
Compound characteristics
| Compound ID: | Y510-5091 |
| Compound Name: | ethyl 3-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-cyanoprop-2-enoate |
| Molecular Weight: | 385.91 |
| Molecular Formula: | C21 H20 Cl N O2 S |
| Smiles: | CCOC(C(=C\c1cc(CSc2ccc(cc2)[Cl])c(C)cc1C)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2837 |
| logD: | 6.2837 |
| logSw: | -6.1149 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.777 |
| InChI Key: | XHQQPBURLSWMCC-UHFFFAOYSA-N |