N-ethyl-4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
N-ethyl-4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0111 |
| Compound Name: | N-ethyl-4-[2-({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C22 H29 F N4 O2 S |
| Smiles: | CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)F)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6923 |
| logD: | 0.8569 |
| logSw: | -2.3883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.265 |
| InChI Key: | NRGDDVDYDOKOQY-UHFFFAOYSA-N |