Basic information
- Standard SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CCCN2C(C(=O)NCc2ccc3c(c2)OCO3)c2ccccc2)cc1OC- InChIKey
MBTRBDRYULFSCA-UHFFFAOYSA-N- Molecular formula
- C37H40N2O7
- Average molar mass
- 624.7 g/mol
Names & identifiers
- Preferred name
- N-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(3,4-dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-phenylacetamide
Names & synonyms
SCHEMBL5208609MBTRBDRYULFSCA-UHFFFAOYSA-NN-Benzo[1,3]dioxol-5-ylmethyl-2-[1-(3,4-dimethoxy-benzyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-2-phenyl-acetamide
Database identifiers
- PubChem CID
- 10189347
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 949
Related reactions
2 records
Compound notes
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