261965-18-8
Product Name:
4-(3-METHOXYPROPYL)-5-[4-(TRIFLUOROMETHYL)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL
Formula:
C13H14F3N3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 317.33 g/mol |
---|---|
XLogP3 | 2.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 317.08096774 g/mol |
Monoisotopic Mass | 317.08096774 g/mol |
Topological Polar Surface Area | 69 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 406 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |