tert-Butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxo-4H-chromene-3-carboxylate
tert-butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxochromene-3-carboxylate
Molecular Identity
tert-Butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxo-4H-chromene-3-carboxylate
tert-butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxochromene-3-carboxylate
PubChem CID: 156897220
2D Structure
Properties
C20H15ClF2O4
Molecular Formula
392.80
Molecular Weight
g/mol
392.0627
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
52.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
6
H-Bond Acceptors
642
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)OC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)Cl)C3=C(C=CC(=C3)F)FIsomeric SMILES
SMILES: CC(C)(C)OC(=O)C1=C(OC2=C(C1=O)C=CC(=C2)Cl)C3=C(C=CC(=C3)F)FSynonyms(9)
2271216-04-5IA-14069tert-Butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxo-4H-chromene-3-carboxylateorb2281150SCHEMBL23931642SCHEMBL30098837EX-A9280AT43351T84305
Data from PubChem (NCBI)
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Molecular Structure
tert-Butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxo-4H-chromene-3-carboxylate
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Drug Network
Trials and conditions connected to tert-Butyl 7-chloro-2-(2,5-difluorophenyl)-4-oxo-4H-chromene-3-carboxylate
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