1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N'-phenylcarbamimidothioate
Chemical Structure Depiction of
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N'-phenylcarbamimidothioate
1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N'-phenylcarbamimidothioate
Compound characteristics
| Compound ID: | 8006-4626 |
| Compound Name: | 1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl N'-phenylcarbamimidothioate |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(CC(C1=O)SC(\N)=N/c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1656 |
| logD: | 4.1608 |
| logSw: | -4.2362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.051 |
| InChI Key: | YXIOERKBSSIEMP-FQEVSTJZSA-N |