6-Methyl-4-(4-((2-methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)amino)anilino)-5,6-dihydro-2H-pyran-2-one
Basic information
- CAS
79040-13-4- Standard SMILES
CC1CC(Nc2ccc(NC3=CC(=O)OC(C)C3)cc2)=CC(=O)O1- InChIKey
KVWURTWAXZTMOL-UHFFFAOYSA-N- Molecular formula
- C18H20N2O4
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.14230712
Names & identifiers
- Preferred name
- 6-Methyl-4-(4-((2-methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)amino)anilino)-5,6-dihydro-2H-pyran-2-one
- IUPAC
- 2-methyl-4-[4-[(2-methyl-6-oxo-2,3-dihydropyran-4-yl)amino]anilino]-2,3-dihydropyran-6-one
Names & synonyms
79040-13-4BH4DT8IX6V6-Methyl-4-(4-((2-methyl-6-oxo-3,6-dihydro-2H-pyran-4-yl)amino)anilino)-5,6-dihydro-2H-pyran-2-oneUNII-BH4DT8IX6VNSC362635NSC 362635NSC-3626354,4'-(1,4-Phenylenediimino)bis(5,6-dihydro-6-methyl-2H-pyran-2-one2-methyl-4-[4-[(2-methyl-6-oxo-2,3-dihydropyran-4-yl)amino]anilino]-2,3-dihydropyran-6-oneDTXSID9010002306-methyl-4-[[4-[(2-methyl-6-oxo-2,3-dihydropyran-4-yl)amino]phenyl]amino]-5,6-dihydropyran-2-oneDS-005933
Show more names
4,4'-(1,4-Phenylenediazanediyl)bis(6-methyl-5,6-dihydro-2H-pyran-2-one)2H-PYRAN-2-ONE, 4,4'-(1,4-PHENYLENEDIIMINO)BIS(5,6-DIHYDRO-6-METHYL-4,4'-[1,4-Phenylenebis(azanediyl)]bis(6-methyl-5,6-dihydro-2H-pyran-2-one)
Database identifiers
- CAS
79040-13-4- PubChem CID
- 338737
- DTXSID
DTXSID901000230- UNII
- BH4DT8IX6V
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
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Compound notes
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