3-(4-methylbenzene-1-sulfonyl)-N-(4-{[2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-N-(4-{[2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
3-(4-methylbenzene-1-sulfonyl)-N-(4-{[2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
Compound characteristics
| Compound ID: | K906-0045 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-N-(4-{[2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C31 H26 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(CCC(Nc1ccc(cc1)Oc1ccc2C(N(C(c2c1)=O)c1cccc(C)c1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5269 |
| logD: | 5.5268 |
| logSw: | -5.389 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.542 |
| InChI Key: | ORHBDZQSYNANEP-UHFFFAOYSA-N |