5-{[(3-chlorophenyl)methanesulfinyl]methyl}-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
Chemical Structure Depiction of
5-{[(3-chlorophenyl)methanesulfinyl]methyl}-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
5-{[(3-chlorophenyl)methanesulfinyl]methyl}-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-6542 |
| Compound Name: | 5-{[(3-chlorophenyl)methanesulfinyl]methyl}-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C25 H27 Cl N2 O3 S |
| Smiles: | C(CNC(c1ccc(CS(Cc2cccc(c2)[Cl])=O)o1)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.043 |
| logD: | 2.8932 |
| logSw: | -4.2912 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.751 |
| InChI Key: | IBIYUWLVQYPNHO-UHFFFAOYSA-N |