3-[[4-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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3-[[4-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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CAS No:
348578-49-4
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Formula:
C25H17FN2O5S
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Chemical Name:
3-[[4-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
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Synonyms:
SCHEMBL13056438;348578-49-4;DTXSID40367548;SMSF0018042;ZINC2966888;NSC727431;CB14408;NSC-727431;3-[[4-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid;BIM-0011352.P001
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CAS No:
3-[[4-[(E)-[1-(2-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid Basic Attributes
476.5 g/mol
476.08422098 g/mol
727431
DTXSID40367548
Computed Properties
Molecular Weight:476.5
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:476.08422098
Monoisotopic Mass:476.08422098
Topological Polar Surface Area:128
Heavy Atom Count:34
Complexity:841
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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