(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0621 |
| Compound Name: | (2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C23 H26 F N3 O4 |
| Smiles: | COc1ccc(cc1OC)NC(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6578 |
| logD: | 2.6578 |
| logSw: | -3.1205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.272 |
| InChI Key: | JJQAGNKFTRANBX-PKOBYXMFSA-N |