1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
Chemical Structure Depiction of
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8006-5560 |
| Compound Name: | 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N,N'-diphenylcarbamimidothioate |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C29 H31 N3 O3 S |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(CC(C1=O)SC(\Nc1ccccc1)=N/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2655 |
| logD: | 6.2653 |
| logSw: | -5.3083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.863 |
| InChI Key: | PFDBTOQIEWWCSZ-SANMLTNESA-N |