trans-6-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2H-1-benzopyran-3-carboxamide
Basic information
- Standard SMILES
Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CCC(CN(C)C4CCOCC4)CC2)CO3)cc1- InChIKey
WVGAUEVRIJKLAT-UHFFFAOYSA-N- Molecular formula
- C30H38N2O3
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.28824308
Names & identifiers
- Preferred name
- trans-6-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2H-1-benzopyran-3-carboxamide
- IUPAC
- N-[4-[[methyl(oxan-4-yl)amino]methyl]cyclohexyl]-6-(4-methylphenyl)-2H-chromene-3-carboxamide
Names & synonyms
SCHEMBL7218233SCHEMBL7218235WVGAUEVRIJKLAT-MGFGWZDJSA-Ntrans-6-(4-methylphenyl)-N-[4-[N-methyl-N-(tetrahydropyran-4-yl)aminomethyl]cyclohexyl]-2H-1-benzopyran-3-carboxamide
Database identifiers
- PubChem CID
- 21362824
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 717
Related reactions
1 records
Compound notes
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