N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide
Compound characteristics
| Compound ID: | 3272-1281 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(3-nitrophenyl)benzenesulfonamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN(c1cccc(c1)[N+]([O-])=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6452 |
| logD: | 3.6452 |
| logSw: | -3.9749 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.228 |
| InChI Key: | BNDFIKUKAJYWHV-UHFFFAOYSA-N |