Название: 1-(2-tert. butylphenyl)-6-(2-bromoethyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7(6H)-trione
SMILES:
CC(C)(C)c1ccccc1N1C(=O)c2ccc3c4c(ccc1c24)C(=O)N(CCBr)C3=OMolecular Processing
Molecular formula
C25H21BrN2O3
Molecular weight
477.36
Exact mass
476.0736
XLogP
5.42
TPSA
57.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
124.72
Supplementary Information
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