1022892-14-3
Product Name:
4-(3-METHYL-4-(ISOPROPYL)PHENYL)-3-(4-PYRIDYL)-1,2,4-TRIAZOLINE-5-THIONE
Formula:
C17H18N4S
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COMPUTED DESCRIPTORS
Molecular Weight | 310.4 g/mol |
---|---|
XLogP3 | 3.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 310.12521776 g/mol |
Monoisotopic Mass | 310.12521776 g/mol |
Topological Polar Surface Area | 72.6 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 442 |
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 |