3-Iodo-7-({4-methyl-2-[4-(trifluoromethyl)phenyl](1,3-thiazol-5-yl)}methoxy)chromen-4-one

HCID 59660649

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Basic information

CAS: 1013635-00-1
Standard SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(=O)c(I)coc2c1
InChIKey: HXUZZDRBZVNJPN-UHFFFAOYSA-N
Molecular formula: C21H13F3INO3S
Average molar mass: 543.3 g/mol
Monoisotopic mass: 542.9613

Names & identifiers

Preferred name: 3-Iodo-7-({4-methyl-2-[4-(trifluoromethyl)phenyl](1,3-thiazol-5-yl)}methoxy)chromen-4-one
IUPAC: 3-iodo-7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]chromen-4-one

Names & synonyms

3-iodo-7-({4-methyl-2-[4-(trifluoromethyl)phenyl](1,3-thiazol-5-yl)}methoxy)chromen-4-oneSCHEMBL2108166DTXSID5011200221013635-00-13-Iodo-7-({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methoxy)-4H-1-benzopyran-4-one3-Iodo-7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methoxy]-4H-1-benzopyran-4-one

Database identifiers

CAS: 1013635-00-1
PubChem CID: 59660649
DTXSID: DTXSID501120022

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 668

Related reactions

2 records

New reaction record

HRID 190777As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1694645As productuspto-grants-2012_04

Compound notes

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