1-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione
1-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | G851-0494 |
| Compound Name: | 1-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2,3-dihydro-1H-indol-1-yl]-4-(pyrrolidin-1-yl)butane-1,4-dione |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | C1CCN(C1)C(CCC(N1CCc2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0394 |
| logD: | 3.0394 |
| logSw: | -3.5988 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.521 |
| InChI Key: | XUAWZOYQTFJNOU-UHFFFAOYSA-N |