SMILES:
COc1ccc(Br)cc1CN(C(=O)c1sc2c(F)ccc(F)c2c1Cl)C1CCC(N(C)C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C29H32BrClF2N2O4S
Molecular weight
658
Exact mass
656.0923
XLogP
8.42
TPSA
59.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
157.36
Supplementary Information
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