861207-36-5
Product Name:
4-(2-HYDROXYETHYL)-1-[(4-METHOXY-2-NITROPHENYL)SULFONYL]-5-METHYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Formula:
C13H15N3O7S
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COMPUTED DESCRIPTORS
Molecular Weight | 357.34 g/mol |
---|---|
XLogP3 | 0.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Exact Mass | 357.06307100 g/mol |
Monoisotopic Mass | 357.06307100 g/mol |
Topological Polar Surface Area | 150 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 650 |
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 |