NIPROFAZONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0A995E1KA6

Structure

InChI Key MZQAQBDIKUFBSF-UHFFFAOYSA-N
Smiles CC(C)N(CNC(=O)c1cccnc1)C2=C(C)N(C)N(C2=O)c3ccccc3
InChI
InChI=1S/C21H25N5O2/c1-15(2)25(14-23-20(27)17-9-8-12-22-13-17)19-16(3)24(4)26(21(19)28)18-10-6-5-7-11-18/h5-13,15H,14H2,1-4H3,(H,23,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N5O2
Molecular Weight 379.2
AlogP 3.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 75.65
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 15387-10-7
NORMAN SUSDAT
FDA SRS 0A995E1KA6
CONTENTS