2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid
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2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid
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CAS No:
150525-63-6
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Formula:
C25H26F2N4O7S2
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Chemical Name:
2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid
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Synonyms:
150525-63-6;XD405;XD 405;DTXSID40933989;1H-1,2,4-Triazole-1-ethanol, alpha-(2,4-difluorophenyl)-alpha-(1-(4-(3-pyridinyl)phenyl)ethenyl)-, dimethanesulfonate (salt);Methanesulfonic acid--2-(2,4-difluorophenyl)-3-[4-(pyridin-3-yl)phenyl]-1-(1H-1,2,4-triazol-1-yl)but-3-en-2-ol (2/1)
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CAS No:
2-(2,4-difluorophenyl)-3-(4-pyridin-3-ylphenyl)-1-(1,2,4-triazol-1-yl)but-3-en-2-ol;methanesulfonic acid Basic Attributes
596.6 g/mol
596.12109785 g/mol
Computed Properties
Molecular Weight:596.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:596.12109785
Monoisotopic Mass:596.12109785
Topological Polar Surface Area:189
Heavy Atom Count:40
Complexity:678
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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