이름: tert-butyl 3-{3-[1-(4-amino-3-vinyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-6-fluoro-2-methoxyphenyl}azetidine-1-carboxylate
SMILES:
C=Cc1nn(C(C)c2cc(Cl)c(F)c(C3CN(C(=O)OC(C)(C)C)C3)c2OC)c2ncnc(N)c12Molecular Processing
Molecular formula
C24H28ClFN6O3
Molecular weight
502.98
Exact mass
502.1895
XLogP
4.8
TPSA
108.39
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
132.15
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→