N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-0531 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 436.57 |
| Molecular Formula: | C25 H28 N2 O3 S |
| Smiles: | Cc1cccc(c1)S(Cc1ccc(C(NCCCN2CCc3ccccc3C2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8971 |
| logD: | 2.7473 |
| logSw: | -3.7837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.12 |
| InChI Key: | OUEDXXYITWNPQG-UHFFFAOYSA-N |