4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0100 |
| Compound Name: | 4-[2-({[4-(3,4-dimethoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C28 H34 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC(C(=CNCCN2CCN(CC2)C(Nc2ccccc2)=S)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4278 |
| logD: | 1.9073 |
| logSw: | -3.0815 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.307 |
| InChI Key: | FKYZRWWDEDHGNG-UHFFFAOYSA-N |