이름: N,N-dimethyl-1-{4-[1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methanamine
SMILES:
CN(C)Cc1ccc(-c2cc3c(B4OC(C)(C)C(C)(C)O4)ccnc3n2S(=O)(=O)c2ccccc2)cc1Molecular Processing
Molecular formula
C28H32BN3O4S
Molecular weight
517.46
Exact mass
517.2207
XLogP
4.3
TPSA
73.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
147.3
Supplementary Information
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