5-[(4-chlorobenzene-1-sulfinyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorobenzene-1-sulfinyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
5-[(4-chlorobenzene-1-sulfinyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-3086 |
| Compound Name: | 5-[(4-chlorobenzene-1-sulfinyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]furan-2-carboxamide |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C24 H25 Cl N2 O3 S |
| Smiles: | C(CNC(c1ccc(CS(c2ccc(cc2)[Cl])=O)o1)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 4.1378 |
| logD: | 2.988 |
| logSw: | -4.5362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.12 |
| InChI Key: | CMIWOLWHBPAFAN-UHFFFAOYSA-N |