148367-88-8
Product Name:
ETHYL 4-[4-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]-5-CYA NAMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
Formula:
C13H8ClF3N4O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 376.74 g/mol |
---|---|
XLogP3 | 4.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 9 |
Rotatable Bond Count | 4 |
Exact Mass | 376.0008589 g/mol |
Monoisotopic Mass | 376.0008589 g/mol |
Topological Polar Surface Area | 103 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 616 |
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 |