(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
(2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0622 |
| Compound Name: | (2S,4S)-N-(5-chloro-2-methoxyphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C22 H23 Cl F N3 O3 |
| Smiles: | COc1ccc(cc1NC(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)=O)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 3.7719 |
| logD: | 3.7718 |
| logSw: | -4.3327 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.944 |
| InChI Key: | KEEWKJGMAZHTRT-MJGOQNOKSA-N |