Name: 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]c4cc(C#N)ccc4c2C3=O)O1Molecular Processing
Molecular formula
C25H24N2O4
Molecular weight
416.48
Exact mass
416.1736
XLogP
4.44
TPSA
84.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
115.42
Supplementary Information
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