CC(C(=O)OC(Cc1ccccc1)CC1CCN(CC2CN(Cc3ccc(Cl)cc3Cl)CC2c2ccsc2)CC1)c1ccccc1
SMILES: CC(C(=O)OC(Cc1ccccc1)CC1CCN(CC2CN(Cc3ccc(Cl)cc3Cl)CC2c2ccsc2)CC1)c1ccccc1

Molecular Processing

Molecular formula
C39H44Cl2N2O2S
Molecular weight
675.77
Exact mass
674.2501
XLogP
9.33
TPSA
32.78
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
46
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.41
Molar refractivity
190.95

Supplementary Information

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