trans-7-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2,3-dihydro-1-benzooxepine-4-carboxamide
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Basic information
- Standard SMILES
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CCC(CN(C)C4CCOCC4)CC2)CCO3)cc1- InChIKey
YXGLPKIGFVDDOH-UHFFFAOYSA-N- Molecular formula
- C31H40N2O3
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.30389314
Names & identifiers
- Preferred name
- trans-7-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2,3-dihydro-1-benzooxepine-4-carboxamide
- IUPAC
- N-[4-[[methyl(oxan-4-yl)amino]methyl]cyclohexyl]-7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carboxamide
Names & synonyms
SCHEMBL7222809SCHEMBL7222814YXGLPKIGFVDDOH-UEZMCPDZSA-Ntrans-7-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2,3-dihydro-1-benzooxepine-4-carboxamide
Database identifiers
- PubChem CID
- 21362825
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Related reactions
1 records
Compound notes
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