Synonyms
Status
Molecule Category Free-form
UNII OW6LM47PNK

Structure

InChI Key ITMGVSSHWMTJRR-UHFFFAOYSA-N
Smiles O=C1C2=C(CCN(Cc3ccccc3)C2)N2CCN=C2N1Cc1ccc(F)cc1F
InChI
InChI=1S/C23H22F2N4O/c24-18-7-6-17(20(25)12-18)14-29-22(30)19-15-27(13-16-4-2-1-3-5-16)10-8-21(19)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H22F2N4O
Molecular Weight 408.45
AlogP 3.14
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 39.15
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 1638178-87-6
ChEMBL CHEMBL4650311
FDA SRS OW6LM47PNK