[(2S,4S)-1-(4-chloro-3-methylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
[(2S,4S)-1-(4-chloro-3-methylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
[(2S,4S)-1-(4-chloro-3-methylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | S254-0568 |
| Compound Name: | [(2S,4S)-1-(4-chloro-3-methylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 436.93 |
| Molecular Formula: | C21 H22 Cl F N2 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])S(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.2167 |
| logD: | 4.2167 |
| logSw: | -4.4652 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.03 |
| InChI Key: | NXLKIADBWAYTJL-XLIONFOSSA-N |