Nombre: tert-butyl 5-[[2-(3-aminophenyl)quinazolin-4-yl]amino]indazole-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)C5=CC(=CC=C5)N)C=N1

Molecular Processing

Molecular formula

C26H24N6O2

Molecular weight

452.52

Exact mass

452.1961

XLogP

5.76

TPSA

107.95

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

0.154

Molar refractivity

134.03

Supplementary Information

InChIKey: YVNONSWHASUFSX-UHFFFAOYSA-N

Sinónimos

SCHEMBL876648YVNONSWHASUFSX-UHFFFAOYSA-Ntert-butyl 5-(2-(3-aminophenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate