321681-84-9
Product Name:
1-ETHYL-6-METHYL-4-(3-NITRO-PHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
Formula:
C16H19N3O5
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COMPUTED DESCRIPTORS
Molecular Weight | 333.34 g/mol |
---|---|
XLogP3 | 1.8 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 333.13247072 g/mol |
Monoisotopic Mass | 333.13247072 g/mol |
Topological Polar Surface Area | 105 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 554 |
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 |