Cc1nc(N2CCC(CCOS(C)(=O)=O)CC2)c2c(C)c(C)n(-c3c(C)cc(Br)cc3C)c2n1
SMILES: Cc1nc(N2CCC(CCOS(C)(=O)=O)CC2)c2c(C)c(C)n(-c3c(C)cc(Br)cc3C)c2n1

Molecular Processing

Molecular formula
C25H33BrN4O3S
Molecular weight
549.54
Exact mass
548.1457
XLogP
5.31
TPSA
77.32
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
140.6

Supplementary Information

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