COCCOCCOCC1=CC(=NN1CC(=O)NC2=NC=C(C=C2)Cl)C(=O)O
이름: 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-5-[2-(2-methoxyethoxy)ethoxymethyl]pyrazole-3-carboxylic acid
SMILES: COCCOCCOCC1=CC(=NN1CC(=O)NC2=NC=C(C=C2)Cl)C(=O)O

Molecular Processing

Molecular formula
C17H21ClN4O6
Molecular weight
412.83
Exact mass
412.115
XLogP
1.45
TPSA
124.8
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
99.41

Supplementary Information

InChIKey: BFIYGLASHPFIQR-UHFFFAOYSA-N
동의어
SCHEMBL1456762BFIYGLASHPFIQR-UHFFFAOYSA-N1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H -pyrazole-3-carboxylic acid1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-5-[2-(2-methoxy-ethoxy)-ethoxymethyl]-1H-pyrazole-3-carboxylic acid
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