N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | C326-0369 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide |
| Molecular Weight: | 501.58 |
| Molecular Formula: | C29 H31 N3 O5 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(NCCc1ccc(c(c1)OC)OC)=O)O2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.843 |
| logD: | 3.843 |
| logSw: | -4.0915 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.592 |
| InChI Key: | CAQLTARDINQMAX-UHFFFAOYSA-N |