SMILES:
CC(C)(C)OC(=O)N1CCC(CCNc2ncc(Br)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1Molecular Processing
Molecular formula
C28H34BrN5O3S
Molecular weight
600.58
Exact mass
599.1566
XLogP
6.46
TPSA
96.45
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
154.68
Supplementary Information
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