N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetamide
Compound characteristics
| Compound ID: | IB08-3684 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(7,8-dimethoxy-2-oxo-1,2-dihydro-3H-3-benzazepin-3-yl)acetamide |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C21 H21 Cl N2 O4 |
| Smiles: | COc1cc2CC(N(CC(NCc3ccc(cc3)[Cl])=O)C=Cc2cc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.17 |
| logD: | 2.17 |
| logSw: | -3.06 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.06 |
| InChI Key: | NFGJNUWMWBRDAQ-UHFFFAOYSA-N |