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]-acetamide

HCID 10230906

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Basic information

Standard SMILES: COc1ccc(CC2c3cc(OC)c(OC)cc3CCCN2CC(=O)NCc2ccc3c(c2)OCO3)cc1OC
InChIKey: NRMBQFUTLZMYGU-UHFFFAOYSA-N
Molecular formula: C31H36N2O7
Average molar mass: 548.6 g/mol
Monoisotopic mass: 548.25225149

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]-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]acetamide

Names & synonyms

SCHEMBL5208656NRMBQFUTLZMYGU-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]-acetamide

Database identifiers

PubChem CID: 10230906

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 87.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 40
Formal charge: 0
Complexity: 802

Related reactions

1 records

New reaction record

HRID 458808As productuspto-grants-2007_03

Compound notes

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