1-[(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | S254-0023 |
| Compound Name: | 1-[(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidin-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C20 H21 F N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C([C@@H]1C[C@@H](CN1C(Cc1cccs1)=O)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6752 |
| logD: | 2.6752 |
| logSw: | -2.7233 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.681 |
| InChI Key: | GJDMAJZUHZOACJ-AEFFLSMTSA-N |