Название: Compound 204
SMILES:
O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1Molecular Processing
Molecular formula
C40H35ClN4O3
Molecular weight
655.2
Exact mass
654.2398
XLogP
9.68
TPSA
88.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
48
Rings
8
Aromatic rings
6
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
190.57
Supplementary Information
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