N-(3-chlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
N-(3-chlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3946-1718 |
| Compound Name: | N-(3-chlorophenyl)-4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C26 H29 Cl N4 O2 S |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(Nc2cccc(c2)[Cl])=S)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.881 |
| logD: | 3.3604 |
| logSw: | -4.3712 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.046 |
| InChI Key: | JIWSLXVUUBSAJV-UHFFFAOYSA-N |