Nombre: 4-bromo-8-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl methoxy)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
SMILES:
CC1(C)OC[C@H](COc2ccc3c(c2)C(C)(C)c2[nH]c4c(Br)c(C#N)ccc4c2C3=O)O1Molecular Processing
Molecular formula
C25H23BrN2O4
Molecular weight
495.37
Exact mass
494.0841
XLogP
5.2
TPSA
84.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
123.12
Supplementary Information
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