N-(2,4-dichlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,4-dichlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
N-(2,4-dichlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3946-1731 |
| Compound Name: | N-(2,4-dichlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 531.5 |
| Molecular Formula: | C26 H28 Cl2 N4 O2 S |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(Nc2ccc(cc2[Cl])[Cl])=S)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4128 |
| logD: | 3.8923 |
| logSw: | -4.4666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.348 |
| InChI Key: | PDHPFYNPWCTXDZ-UHFFFAOYSA-N |