rel-(3R,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
rel-(3R,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
rel-(3R,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C275-0026B |
| Compound Name: | rel-(3R,4S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | [H][C@]1(C(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc2C(N(C)[C@@]1([H])c1c[nH]c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.206 |
| logD: | 3.1883 |
| logSw: | -3.5942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.628 |
| InChI Key: | FQKSVZSQZZWXKE-LOSJGSFVSA-N |