Название: intermediate
SMILES:
C=CCCCCN(CC(=O)Nc1c(Cl)cc(CN/C(=N/C(=O)c2c(-c3ccc(OCC=C)cc3)noc2C)NC(=O)OC(C)(C)C)cc1Cl)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C40H50Cl2N6O8
Molecular weight
813.78
Exact mass
812.3067
XLogP
8.86
TPSA
173.69
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
15
Heavy atoms
56
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
217.29
Supplementary Information
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