Synonyms
Status
Molecule Category Free-form
UNII MNZ4OP95CF

Structure

InChI Key VBTUJTGLLREMNW-UHFFFAOYSA-N
Smiles O=C(c1cc(Cn2c(=O)[nH]c(=O)c3c(F)cccc32)ccc1F)N1CCN(c2ncccn2)CC1
InChI
InChI=1S/C24H20F2N6O3/c25-17-6-5-15(14-32-19-4-1-3-18(26)20(19)21(33)29-24(32)35)13-16(17)22(34)30-9-11-31(12-10-30)23-27-7-2-8-28-23/h1-8,13H,9-12,14H2,(H,29,33,35)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H20F2N6O3
Molecular Weight 478.46
AlogP 1.77
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 104.19
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEMBL CHEMBL4802152
FDA SRS MNZ4OP95CF