3-(4-bromobenzene-1-sulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide
3-(4-bromobenzene-1-sulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide
Compound characteristics
| Compound ID: | K906-0049 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-N-[4-({1,3-dioxo-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindol-5-yl}oxy)phenyl]propanamide |
| Molecular Weight: | 673.46 |
| Molecular Formula: | C30 H20 Br F3 N2 O6 S |
| Smiles: | C(CS(c1ccc(cc1)[Br])(=O)=O)C(Nc1ccc(cc1)Oc1ccc2C(N(C(c2c1)=O)c1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3396 |
| logD: | 6.3396 |
| logSw: | -5.9997 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.241 |
| InChI Key: | VVTKNHQRYZBRLC-UHFFFAOYSA-N |