(2S,4S)-N-(5-chloro-2-methylphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
Chemical Structure Depiction of
(2S,4S)-N-(5-chloro-2-methylphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
(2S,4S)-N-(5-chloro-2-methylphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide
Compound characteristics
| Compound ID: | S254-0627 |
| Compound Name: | (2S,4S)-N-(5-chloro-2-methylphenyl)-2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-4-fluoropyrrolidine-1-carboxamide |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C22 H23 Cl F N3 O2 |
| Smiles: | Cc1ccc(cc1NC(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)=O)[Cl] |
| Stereo: | ABSOLUTE |
| logP: | 3.9761 |
| logD: | 3.9761 |
| logSw: | -4.3393 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.313 |
| InChI Key: | BEMCXWHRDDXUEM-QUCCMNQESA-N |