1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
Chemical Structure Depiction of
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate
Compound characteristics
| Compound ID: | 8006-4304 |
| Compound Name: | 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diethylcarbamimidothioate |
| Molecular Weight: | 405.56 |
| Molecular Formula: | C21 H31 N3 O3 S |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(CC(C1=O)SC(\NCC)=N/CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1725 |
| logD: | 3.8972 |
| logSw: | -3.9973 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.499 |
| InChI Key: | SINCGSIIDIPGQV-SFHVURJKSA-N |