(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2,5-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2,5-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
(2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2,5-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0623 |
| Compound Name: | (2S,4S)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(2,5-dimethoxyphenyl)-4-fluoropyrrolidine-1-carboxamide |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C23 H26 F N3 O4 |
| Smiles: | COc1ccc(c(c1)NC(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.2024 |
| logD: | 3.2024 |
| logSw: | -3.4621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.487 |
| InChI Key: | LYRCGJYRDWTCKW-FXAWDEMLSA-N |