4-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
4-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbonyl}-N,N-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K407-0027 |
| Compound Name: | 4-{6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydroisoquinoline-2(1H)-carbonyl}-N,N-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 555.61 |
| Molecular Formula: | C27 H29 N3 O8 S |
| Smiles: | CN(C)S(c1ccc(cc1)C(N1CCc2cc(c(cc2C1COc1ccc(cc1)[N+]([O-])=O)OC)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4365 |
| logD: | 3.4365 |
| logSw: | -3.9281 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.619 |
| InChI Key: | TVROXPQZBNGSRH-DEOSSOPVSA-N |