이름: 4b
SMILES:
COc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(Cl)nn4)cn3)C(C)C)cc2)c1Molecular Processing
Molecular formula
C26H25ClN4O
Molecular weight
444.97
Exact mass
444.1717
XLogP
6.22
TPSA
60.79
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
127.79
Supplementary Information
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