2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
Chemical Structure Depiction of
2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
Compound characteristics
| Compound ID: | Y020-5897 |
| Compound Name: | 2-(2-benzoyl-4-chloroanilino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate |
| Molecular Weight: | 524.1 |
| Molecular Formula: | C27 H26 Cl N3 O2 S2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(=S)SCC(Nc1ccc(cc1C(c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2388 |
| logD: | 5.0433 |
| logSw: | -5.5593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.518 |
| InChI Key: | MGHSXGIOCFSSIR-UHFFFAOYSA-N |