N-ethyl-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
N-ethyl-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0097 |
| Compound Name: | N-ethyl-4-[2-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)OC)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6456 |
| logD: | 0.8102 |
| logSw: | -2.3234 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.809 |
| InChI Key: | CQEYITUKHVEWEA-UHFFFAOYSA-N |