2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl diethylcarbamodithioate
Chemical Structure Depiction of
2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl diethylcarbamodithioate
2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl diethylcarbamodithioate
Compound characteristics
| Compound ID: | 4112-0036 |
| Compound Name: | 2-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-oxoethyl diethylcarbamodithioate |
| Molecular Weight: | 374.57 |
| Molecular Formula: | C20 H26 N2 O S2 |
| Smiles: | CCN(CC)C(=S)SCC(c1cc(C)n(c2ccc(C)cc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7479 |
| logD: | 4.7479 |
| logSw: | -4.5726 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 18.2541 |
| InChI Key: | NABMWXCGHAQWOO-UHFFFAOYSA-N |