Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q5128GW9D4

Structure

InChI Key UZDGLRYWBSKLQY-NCELDCMTSA-N
Smiles Cc1cccc(/C=N/N2CCN(CC2)C(c3ccccc3)c4ccccc4)n1
InChI
InChI=1S/C24H26N4/c1-20-9-8-14-23(26-20)19-25-28-17-15-27(16-18-28)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,19,24H,15-18H2,1H3/b25-19+

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N4
Molecular Weight 370.22
AlogP 4.13
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 31.73
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 3601-19-2
NORMAN SUSDAT
FDA SRS Q5128GW9D4