methyl 3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)methyl]benzoate
methyl 3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)methyl]benzoate
Compound characteristics
| Compound ID: | Y043-4495 |
| Compound Name: | methyl 3-[(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)methyl]benzoate |
| Molecular Weight: | 367.4 |
| Molecular Formula: | C21 H21 N O5 |
| Smiles: | COC(c1cccc(CN2C=Cc3cc(c(cc3CC2=O)OC)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.222 |
| logD: | 2.222 |
| logSw: | -2.7365 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.725 |
| InChI Key: | PWLHGQCXFDJGAT-UHFFFAOYSA-N |