SMILES:
C#Cc1cccc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(=O)c3cc(Br)cc(CN(C)CCCC)c3)CC2)c1.Cl.ClMolecular Processing
Molecular formula
C34H40BrCl2F2N3O2
Molecular weight
711.52
Exact mass
709.1649
XLogP
6.77
TPSA
64.6
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
44
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
3
Fraction Csp3
0.382
Molar refractivity
180.49
Supplementary Information
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