Название: Ethyl 4-[(4-{[4-({[(2-methylphenyl)amino]carbonyl}amino)phenyl]amino}-4-oxo-3-phenylbutanoyl)amino]benzoate
SMILES:
CCOC(=O)c1ccc(NC(=O)CC(C(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C33H32N4O5
Molecular weight
564.64
Exact mass
564.2373
XLogP
6.57
TPSA
125.63
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
163.72
Supplementary Information
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