N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | F866-0086 |
| Compound Name: | N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | C(CC(NCCS(N1CCc2ccccc2C1)(=O)=O)=O)CN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8989 |
| logD: | 0.8989 |
| logSw: | -2.3706 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.321 |
| InChI Key: | VQYJHUFDXKQODL-UHFFFAOYSA-N |