{5-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrol-2-yl]-1,3,4-oxadiazol-2-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{5-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrol-2-yl]-1,3,4-oxadiazol-2-yl}(pyrrolidin-1-yl)methanone
{5-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrol-2-yl]-1,3,4-oxadiazol-2-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | L504-0086 |
| Compound Name: | {5-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1H-pyrrol-2-yl]-1,3,4-oxadiazol-2-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | C1CCN(C1)C(c1nnc(c2cc(c[nH]2)S(N2CCc3ccccc3C2)(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0161 |
| logD: | 2.0161 |
| logSw: | -2.7663 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.297 |
| InChI Key: | WNBDKLNNYSGEJT-UHFFFAOYSA-N |