6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-nitro-5-(phenylsulfanyl)phenyl]hexanamide
Chemical Structure Depiction of
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-nitro-5-(phenylsulfanyl)phenyl]hexanamide
6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-nitro-5-(phenylsulfanyl)phenyl]hexanamide
Compound characteristics
| Compound ID: | 8012-5755 |
| Compound Name: | 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-[3-nitro-5-(phenylsulfanyl)phenyl]hexanamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C26 H23 N3 O5 S |
| Smiles: | C(CCC(Nc1cc(cc(c1)Sc1ccccc1)[N+]([O-])=O)=O)CCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1034 |
| logD: | 5.1032 |
| logSw: | -4.9847 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.729 |
| InChI Key: | GTPOHOOXTQWJHK-UHFFFAOYSA-N |