N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzene-1-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y050-0354 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methoxy-5-methyl-N-phenylbenzene-1-sulfonamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C25 H26 N2 O4 S |
| Smiles: | Cc1ccc(c(c1)S(N(CC(N1CCc2ccccc2C1)=O)c1ccccc1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1153 |
| logD: | 4.1153 |
| logSw: | -4.1775 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.477 |
| InChI Key: | BAKOHUXILLXLDV-UHFFFAOYSA-N |