SMILES:
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCNc2ncc(Br)cn2)cs1Molecular Processing
Molecular formula
C17H23BrN4O2S2
Molecular weight
459.44
Exact mass
458.0446
XLogP
4.56
TPSA
77
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
109.82
Supplementary Information
Details werden geladen…
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