rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T854-0638 |
| Compound Name: | rel-(4aR,8aR)-N-[(2,3-dimethoxyphenyl)methyl]-1-(2-methoxyethyl)-2-oxooctahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C22 H32 N2 O5 |
| Smiles: | [H][C@@]12CCCC[C@]1(CCC(N2CCOC)=O)C(NCc1cccc(c1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2142 |
| logD: | 2.2142 |
| logSw: | -2.576 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.518 |
| InChI Key: | VIBXOAIODULUPM-AVRDEDQJSA-N |