N-ethyl-4-[2-({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-4-[2-({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
N-ethyl-4-[2-({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0103 |
| Compound Name: | N-ethyl-4-[2-({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C20 H28 N4 O3 S |
| Smiles: | CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccco2)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 0.7814 |
| logD: | -0.054 |
| logSw: | -2.0743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.843 |
| InChI Key: | KUZAKULLJBKPMR-UHFFFAOYSA-N |