COc1cc(Br)cc(N2CCN(Cc3ccc(OC)c(OC)c3)C(CNS(=O)(=O)c3ccc(-n4ccnc4)cc3)C2)c1
SMILES: COc1cc(Br)cc(N2CCN(Cc3ccc(OC)c(OC)c3)C(CNS(=O)(=O)c3ccc(-n4ccnc4)cc3)C2)c1

Molecular Processing

Molecular formula
C30H34BrN5O5S
Molecular weight
656.6
Exact mass
655.1464
XLogP
4.33
TPSA
98.16
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
165.4

Supplementary Information

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