{3-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-1,2,4-oxadiazol-5-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{3-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-1,2,4-oxadiazol-5-yl}(pyrrolidin-1-yl)methanone
{3-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-1,2,4-oxadiazol-5-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | L823-0086 |
| Compound Name: | {3-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-1,2,4-oxadiazol-5-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | C1CCN(C1)C(c1nc(c2cc(sc2)S(N2CCc3ccccc3C2)(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3734 |
| logD: | 3.3734 |
| logSw: | -3.6392 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.321 |
| InChI Key: | OBRAXIMTUUKXKI-UHFFFAOYSA-N |