CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1C[C@@H]1COC(C)(C)O1
名称: 7-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILES: CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1C[C@@H]1COC(C)(C)O1

Molecular Processing

Molecular formula
C19H23BrN4O3
Molecular weight
435.32
Exact mass
434.0954
XLogP
3.62
TPSA
84.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
107.38

Supplementary Information

InChIKey: VTDYSERKFAJYJK-GFCCVEGCSA-N
同義語
SCHEMBL3863583VTDYSERKFAJYJK-GFCCVEGCSA-N(R)-7-Bromo-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethoxymethyl-1H-imidazo[4,5-c]quinolin-4-amine7-bromo-1-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine
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