SMILES:
Cc1cc(Nc2nc3cc(OC4(C5CCN(CCNC=O)C5)C=CC=CN4)ccc3n2C)ccc1BrMolecular Processing
Molecular formula
C27H31BrN6O2
Molecular weight
551.49
Exact mass
550.1692
XLogP
4.2
TPSA
83.45
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
146.26
Supplementary Information
Details werden geladen…
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