87693-90-1
Product Name:
METHYL 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBOXYLATE
Formula:
C13H12N2O3S
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COMPUTED DESCRIPTORS
Molecular Weight | 276.31 g/mol |
---|---|
XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 4 |
Exact Mass | 276.05686342 g/mol |
Monoisotopic Mass | 276.05686342 g/mol |
Topological Polar Surface Area | 93.1 Ų |
Heavy Atom Count | 19 |
Formal Charge | 0 |
Complexity | 451 |
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 |