이름: Methyl 2-(tert-butoxy)-2-(6-methyl-4-(p-tolyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate
SMILES:
COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]ccc2c1-c1ccc(C)cc1Molecular 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
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