Structure

InChI Key XYGVIBXOJOOCFR-BTJKTKAUSA-N
Smile Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=C\C(=O)O
InChI
InChI=1S/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H17ClFN3O4
Molecular Weight 441.85
AlogP 4.32
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 30.18
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 23.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2106922
FDA SRS 77520S18SE
PubChem 5384200
SureChEMBL SCHEMBL147776