SMILES:
C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3c(Br)c(C#N)nc(-c4cncc(Cl)c4)c32)CC1Molecular Processing
Molecular formula
C30H30BrClN6O
Molecular weight
605.97
Exact mass
604.1353
XLogP
7.19
TPSA
79.86
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
156.65
Supplementary Information
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