344265-45-8
Product Name:
4-(2-METHYL-3,5-DIOXO-1,4-THIAZINAN-4-YL)BENZENECARBONITRILE
Formula:
C12H10N2O2S
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COMPUTED DESCRIPTORS
Molecular Weight | 246.29 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 1 |
Exact Mass | 246.04629874 g/mol |
Monoisotopic Mass | 246.04629874 g/mol |
Topological Polar Surface Area | 86.5 Ų |
Heavy Atom Count | 17 |
Formal Charge | 0 |
Complexity | 379 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |