N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-N-heptyl-N'-methylthiourea
Chemical Structure Depiction of
N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-N-heptyl-N'-methylthiourea
N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-N-heptyl-N'-methylthiourea
Compound characteristics
| Compound ID: | 8010-4094 |
| Compound Name: | N-{2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl}-N-heptyl-N'-methylthiourea |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C20 H26 F3 N3 O3 S |
| Smiles: | CCCCCCCN(C1CC(N(C1=O)c1ccc(cc1)OC(F)(F)F)=O)C(NC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.546 |
| logD: | 4.546 |
| logSw: | -4.3054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.067 |
| InChI Key: | MJCHCAAUPARSIM-INIZCTEOSA-N |