{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]thiophen-3-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]thiophen-3-yl}(pyrrolidin-1-yl)methanone
{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]thiophen-3-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | F817-0086 |
| Compound Name: | {5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]thiophen-3-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | C1CCN(C1)C(c1cc(sc1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7977 |
| logD: | 2.7977 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.292 |
| InChI Key: | YZCLNJGVKMLTOV-UHFFFAOYSA-N |