4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0110 |
| Compound Name: | 4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-phenylpiperazine-1-carbothioamide |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C26 H29 F N4 O2 S |
| Smiles: | C1C(CC(C(=CNCCN2CCN(CC2)C(Nc2ccccc2)=S)C1=O)=O)c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.9604 |
| logD: | 2.4399 |
| logSw: | -3.3724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.046 |
| InChI Key: | SBKVKPPOSRIHQD-UHFFFAOYSA-N |