trans-(1S,2R)-sedaxane

Base Information

• Chemical Name: trans-(1S,2R)-sedaxane
• CAS No.: 599197-38-3
• Deprecated CAS: 1135441-97-2
• Molecular Formula: C18H19F2N3O
• Molecular Weight: 331.36
• European Community (EC) Number: 822-542-4
• UNII: MF8H841R4Y
• DSSTox Substance ID: DTXSID901337293
• Wikidata: Q27156679

Synonyms:trans-Sedaxane;trans-(1S,2R)-sedaxane;MF8H841R4Y;599197-38-3;UNII-MF8H841R4Y;SEDAXANE, TRANS-;SCHEMBL192918;CHEBI:83178;XQJQCBDIXRIYRP-STQMWFEESA-N;DTXSID901337293;SEDAXANE, TRANS-(+/-)-;Q27156679;n-(trans-2-bicyclopropyl-2-ylphenyl)-3-difluoromethyl-1-methyl-1h-pyrazole-4-carboxamide;1H-PYRAZOLE-4-CARBOXAMIDE, N-(2-(1R,2S)-(1,1'-BICYCLOPROPYL)-2-YLPHENYL)-3-(DIFLUOROMETHYL)-1-METHYL-, REL-;N-{2-[(1S,2R)-1,1'-bi(cyclopropyl)-2-yl]phenyl}-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

Chemical Property of trans-(1S,2R)-sedaxane

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 331.14961856
• Heavy Atom Count: 24
• Complexity: 485

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3CC3C4CC4
• Isomeric SMILES: CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2[C@@H]3C[C@H]3C4CC4

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