4-[2-({[4-(4-tert-butylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Chemical Structure Depiction of
4-[2-({[4-(4-tert-butylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
4-[2-({[4-(4-tert-butylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4779-0114 |
| Compound Name: | 4-[2-({[4-(4-tert-butylphenyl)-2,6-dioxocyclohexylidene]methyl}amino)ethyl]-N-ethylpiperazine-1-carbothioamide |
| Molecular Weight: | 470.68 |
| Molecular Formula: | C26 H38 N4 O2 S |
| Smiles: | CCNC(N1CCN(CCNC=C2C(CC(CC2=O)c2ccc(cc2)C(C)(C)C)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4577 |
| logD: | 2.6223 |
| logSw: | -3.5012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.265 |
| InChI Key: | WQOKUQXDYKYVKK-UHFFFAOYSA-N |