(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxamide
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0687 |
| Compound Name: | (2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoro-N-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxamide |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C22 H23 F2 N3 O3 |
| Smiles: | COc1ccc(cc1F)NC(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.2137 |
| logD: | 3.2137 |
| logSw: | -3.4381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.641 |
| InChI Key: | MJQNKAQPKVQTRH-APWZRJJASA-N |