CC1=CC=C(C=C1)C2=C3C=CNC3=NC(=C2C(C(=O)OC)OC(C)(C)C)C
Name: methyl 2-[6-methyl-4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILES: CC1=CC=C(C=C1)C2=C3C=CNC3=NC(=C2C(C(=O)OC)OC(C)(C)C)C

Molecular Processing

Molecular formula
C22H26N2O3
Molecular weight
366.46
Exact mass
366.1943
XLogP
4.88
TPSA
64.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
106.6

Supplementary Information

InChIKey: RAVABWRXUYSFSH-UHFFFAOYSA-N
Synonyme
SCHEMBL14576608RAVABWRXUYSFSH-UHFFFAOYSA-NMethyl 2-(tert-butoxy)-2-(6-methyl-4-(p-tolyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate
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