Metethoheptazine
ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate
Also Known As: Metethoheptazine|Metethoheptazinum|Metetoheptazina|Metethoheptazine [INN]|ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate|Wy 535|Wy-535|CM0130|Ethyl 1,3-dimethyl-4-phenyl-4-azepanylcarboxylat|1,3-Dimethyl-4-carbethoxy-4-phenylhexamethylenimin|ethyl1,3-dimethyl-4-phenylazepane-4-carboxylate|Ethyl3-(benzo[b]thiophen-2-yl)-3-oxo-propanoate|Hexahydro-1,3-dimethyl-4-phenyl-azepinecarboxylic acid ethyl ester|1H-Azepine-4-carboxylic acid, hexahydro-1,3-dimethyl-4-phenyl-, ethyl ester
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.18854 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.18854 |
| Monoisotopic Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 509-84-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCCN(CC1C)C)C2=CC=CC=C2 |
| InChIKey | BOSULDNQDJLKKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Metethoheptazine (CAS 509-84-2), with molecular formula C17H25NO2 and molecular weight 275.18854 g/mol. IUPAC: ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate.