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164256025 molecular structure
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(4E)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine

ChemBase ID: 200115
Molecular Formular: C24H21NO4
Molecular Mass: 387.42784
Monoisotopic Mass: 387.14705816
SMILES and InChIs

SMILES:
c\1(=N/c2cc(c(cc2)OC)OC)/cc(oc2c1cccc2)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1c/c(=N\c2ccc(c(c2)OC)OC)/c2c(o1)cccc2
InChI:
InChI=1S/C24H21NO4/c1-26-18-11-8-16(9-12-18)23-15-20(19-6-4-5-7-21(19)29-23)25-17-10-13-22(27-2)24(14-17)28-3/h4-15H,1-3H3/b25-20+
InChIKey:
QCKUGFFMCLYBCF-LKUDQCMESA-N

Cite this record

CBID:200115 http://www.chembase.cn/molecule-200115.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4E)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-chromen-4-imine
IUPAC Traditional name
(4E)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)chromen-4-imine
PubChem SID
164256025
PubChem CID
1285745

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1285745 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.656086  LogD (pH = 7.4) 4.6561294 
Log P 4.65613  Molar Refractivity 115.1064 cm3
Polarizability 43.059143 Å3 Polar Surface Area 49.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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