SMILES:
CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(Cl)cc3Cl)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21Molecular Processing
Molecular formula
C33H33Cl2N3O6S
Molecular weight
670.61
Exact mass
669.1467
XLogP
7.4
TPSA
106.94
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
45
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
173.58
Supplementary Information
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