이름: Ethyl 3-{[(3′-{[(2-aminoanilino)carbothioyl]amino}[1,1′-biphenyl]-3-yl)sulfonyl]amino}-3-phenyl-propanoate
SMILES:
CCOC(=O)CC(NS(=O)(=O)c1cccc(-c2cccc(NC(=S)Nc3ccccc3N)c2)c1)c1ccccc1Molecular Processing
Molecular formula
C30H30N4O4S2
Molecular weight
574.73
Exact mass
574.1708
XLogP
5.72
TPSA
122.55
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
163.33
Supplementary Information
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