3-(4-bromobenzene-1-sulfonyl)-N-(4-{[2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
Chemical Structure Depiction of
3-(4-bromobenzene-1-sulfonyl)-N-(4-{[2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
3-(4-bromobenzene-1-sulfonyl)-N-(4-{[2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide
Compound characteristics
| Compound ID: | K906-0039 |
| Compound Name: | 3-(4-bromobenzene-1-sulfonyl)-N-(4-{[2-(4-ethoxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenyl)propanamide |
| Molecular Weight: | 649.52 |
| Molecular Formula: | C31 H25 Br N2 O7 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1)NC(CCS(c1ccc(cc1)[Br])(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8079 |
| logD: | 5.8079 |
| logSw: | -5.4985 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.665 |
| InChI Key: | OICZRQWLKLZPEZ-UHFFFAOYSA-N |