2-(2-benzoyl-4-chloroanilino)-2-oxoethyl diethylcarbamodithioate
Chemical Structure Depiction of
2-(2-benzoyl-4-chloroanilino)-2-oxoethyl diethylcarbamodithioate
2-(2-benzoyl-4-chloroanilino)-2-oxoethyl diethylcarbamodithioate
Compound characteristics
| Compound ID: | Y020-5898 |
| Compound Name: | 2-(2-benzoyl-4-chloroanilino)-2-oxoethyl diethylcarbamodithioate |
| Molecular Weight: | 420.98 |
| Molecular Formula: | C20 H21 Cl N2 O2 S2 |
| Smiles: | CCN(CC)C(=S)SCC(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7469 |
| logD: | 4.7428 |
| logSw: | -4.8201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.261 |
| InChI Key: | MMAKRAPHVPXFDE-UHFFFAOYSA-N |