Benzamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3,4,5-trimethoxy-
Basic information
- CAS
35047-56-4- Standard SMILES
COc1cc(C(=O)NC2CCCCc3ccccc32)cc(OC)c1OC- InChIKey
QAYYMOACHQWLOS-UHFFFAOYSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- Benzamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3,4,5-trimethoxy-
- IUPAC
- 3,4,5-trimethoxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzamide
Names & synonyms
BRN 29034305-(3,4,5-Trimethoxybenzamido)-6,7,8,9-tetrahydro-5H-benzocycloheptene35047-56-4Benzamide, N-(6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl)-3,4,5-trimethoxy-N-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-5-yl)-3,4,5-trimethoxybenzamideRefChem:322409DTXSID709564843,4,5-Trimethoxy-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)benzene-1-carboximidic acid
Database identifiers
- CAS
35047-56-4- PubChem CID
- 215136
- DTXSID
DTXSID70956484
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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