Cc1ccc(-c2cccc(C(Cc3cc(Cl)c4cccnc4c3OCc3ccccc3)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)s1
SMILES: Cc1ccc(-c2cccc(C(Cc3cc(Cl)c4cccnc4c3OCc3ccccc3)NC(=O)C(C)(C)Oc3ccc(Cl)cc3)c2)s1

Molecular Processing

Molecular formula
C39H34Cl2N2O3S
Molecular weight
681.69
Exact mass
680.1667
XLogP
10.42
TPSA
60.45
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
47
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.179
Molar refractivity
192.77

Supplementary Information

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