N-{3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}-2-(morpholine-4-carbonyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}-2-(morpholine-4-carbonyl)benzene-1-sulfonamide
N-{3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}-2-(morpholine-4-carbonyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2995-1322 |
| Compound Name: | N-{3-[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)phenoxy]-2-hydroxypropyl}-2-(morpholine-4-carbonyl)benzene-1-sulfonamide |
| Molecular Weight: | 569.63 |
| Molecular Formula: | C28 H31 N3 O8 S |
| Smiles: | C1C=CCC2C1C(N(C2=O)c1ccc(cc1)OCC(CNS(c1ccccc1C(N1CCOCC1)=O)(=O)=O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1059 |
| logD: | 1.1051 |
| logSw: | -2.433 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.506 |
| InChI Key: | ZWKVBOMSCBJWEN-UHFFFAOYSA-N |