SMILES:
COCC(=O)Nc1c[nH]c2ncc(Br)c(N3CCCC(C)(NC(=O)OC(C)(C)C)C3)c12Molecular Processing
Molecular formula
C21H30BrN5O4
Molecular weight
496.41
Exact mass
495.1481
XLogP
3.79
TPSA
108.58
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
123.52
Supplementary Information
Details werden geladen…
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