4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0107 |
| Compound Name: | 4-[2-({[2,6-dioxo-4-(thiophen-2-yl)cyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide |
| Molecular Weight: | 420.59 |
| Molecular Formula: | C20 H28 N4 O2 S2 |
| Smiles: | CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2cccs2)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 1.2047 |
| logD: | 0.3693 |
| logSw: | -2.2239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.284 |
| InChI Key: | QCMIHOSDAYSZBP-UHFFFAOYSA-N |