{(2S,4S)-1-[(3-chlorophenyl)methanesulfonyl]-4-fluoropyrrolidin-2-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{(2S,4S)-1-[(3-chlorophenyl)methanesulfonyl]-4-fluoropyrrolidin-2-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{(2S,4S)-1-[(3-chlorophenyl)methanesulfonyl]-4-fluoropyrrolidin-2-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | S254-0681 |
| Compound Name: | {(2S,4S)-1-[(3-chlorophenyl)methanesulfonyl]-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: | C1CN(Cc2ccccc12)C([C@@H]1C[C@@H](CN1S(Cc1cccc(c1)[Cl])(=O)=O)F)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.5295 |
| logD: | 3.5295 |
| logSw: | -3.8475 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.924 |
| InChI Key: | MCSRZVQICVYNAB-UXHICEINSA-N |