4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide
4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4038-0090 |
| Compound Name: | 4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-phenylpiperazine-1-carbothioamide |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(Nc2ccccc2)=S)C1=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9357 |
| logD: | 2.4151 |
| logSw: | -3.3704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.046 |
| InChI Key: | LICBPVLGXPZFAJ-UHFFFAOYSA-N |