이름: (2S)-1-[3-(3-{1-[4-amino-3-(difluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-chloro-6-fluoro-2-methoxyphenyl)azetidin-1-yl]propan-2-ol
SMILES:
COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(F)c1C1CN(C[C@H](C)O)C1Molecular Processing
Molecular formula
C21H24ClF3N6O2
Molecular weight
484.91
Exact mass
484.1601
XLogP
3.54
TPSA
102.32
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
117.33
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→