2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl diethylcarbamodithioate
Chemical Structure Depiction of
2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl diethylcarbamodithioate
2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 4112-3973 |
| Compound Name: | 2-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl diethylcarbamodithioate |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C20 H22 Cl F3 N2 O S2 |
| Smiles: | CCN(CC)C(=S)SCC(c1cc(C)n(c2ccc(c(c2)C(F)(F)F)[Cl])c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7354 |
| logD: | 5.7354 |
| logSw: | -6.0128 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 18.2541 |
| InChI Key: | NRTVEQCMXVIAAL-UHFFFAOYSA-N |