Name: Compound 239a
SMILES:
Cn1cc(Br)cc(Nc2ccc(C3CN(C(=O)OC(C)(C)C)C3)cn2)c1=OMolecular Processing
Molecular formula
C19H23BrN4O3
Molecular weight
435.32
Exact mass
434.0954
XLogP
3.62
TPSA
76.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
107.45
Supplementary Information
Details werden geladen…
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