(3,4-dihydroisoquinolin-2(1H)-yl)[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methanone
(3,4-dihydroisoquinolin-2(1H)-yl)[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methanone
Compound characteristics
| Compound ID: | S254-0072 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[(2S,4S)-1-(4-ethylbenzene-1-sulfonyl)-4-fluoropyrrolidin-2-yl]methanone |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C22 H25 F N2 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1C[C@H](C[C@H]1C(N1CCc2ccccc2C1)=O)F)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.8794 |
| logD: | 3.8794 |
| logSw: | -3.7839 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.03 |
| InChI Key: | XDWYBWVCKKOWKS-CTNGQTDRSA-N |