3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Chemical Structure Depiction of
3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8018-1254 |
| Compound Name: | 3-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxylic acid |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C25 H29 N O6 |
| Smiles: | CCOc1ccc(CCN2C(C(C3CC2(C)Oc2ccccc23)C(O)=O)=O)cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8088 |
| logD: | -1.1583 |
| logSw: | -3.142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.531 |
| InChI Key: | PBDBDEWPQZIOMJ-UHFFFAOYSA-N |