Nombre: 6-[[5-(2,2-diethoxyethoxy)-2-pyridinyl]oxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

SMILES: CCOC(COC1=CN=C(C=C1)OC2=CC3=C(C=C2)N=CN=C3NC4=NN(C=C4)C)OCC

Molecular Processing

Molecular formula

C23H26N6O4

Molecular weight

450.5

Exact mass

450.2016

XLogP

4.07

TPSA

105.44

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.304

Molar refractivity

122.87

Supplementary Information

InChIKey: CZRKRHZMJFJLLK-UHFFFAOYSA-N

Sinónimos

SCHEMBL2889857CZRKRHZMJFJLLK-UHFFFAOYSA-N6-{[5-(2,2-diethoxyethoxy)pyridin-2-yl]oxy}-N-(1-methyl-1H-pyrazol-3-yl)quinazoline-4-amine