(3,4-dihydroisoquinolin-2(1H)-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
(3,4-dihydroisoquinolin-2(1H)-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K672-0381 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C22 H17 F N2 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2692 |
| logD: | 5.2692 |
| logSw: | -5.6765 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.358 |
| InChI Key: | HYKDVVWKIFAOEM-UHFFFAOYSA-N |