이름: intermediate ( 11a )
SMILES:
CCCCc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C41H35ClN6O
Molecular weight
663.23
Exact mass
662.2561
XLogP
8.9
TPSA
78.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
49
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.146
Molar refractivity
193.63
Supplementary Information
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