이름: methyl 5-bromo-6-chloro-pyridine-2-carboxylic acid methyl ester
SMILES:
COC(=O)C(C)(C)NC(=O)c1ccc(C2CCOCC2)c(OCC2CC2)n1Molecular Processing
Molecular formula
C20H28N2O5
Molecular weight
376.45
Exact mass
376.1998
XLogP
2.45
TPSA
86.75
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
98.81
Supplementary Information
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