CCOC(=O)NC(=O)C(=NNC1=CC(=C(C(=C1)Cl)OC2=NN(C(=O)C(=C2)C(C)C)C)Cl)C#N
이름: ethyl N-[2-cyano-2-[[3,5-dichloro-4-(1-methyl-6-oxo-5-propan-2-ylpyridazin-3-yl)oxyphenyl]hydrazinylidene]acetyl]carbamate
SMILES: CCOC(=O)NC(=O)C(=NNC1=CC(=C(C(=C1)Cl)OC2=NN(C(=O)C(=C2)C(C)C)C)Cl)C#N

Molecular Processing

Molecular formula
C20H20Cl2N6O5
Molecular weight
495.32
Exact mass
494.0872
XLogP
3.57
TPSA
147.7
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
121.94

Supplementary Information

InChIKey: UHUADESYDGNCIF-UHFFFAOYSA-N
동의어
SCHEMBL2921152UHUADESYDGNCIF-UHFFFAOYSA-N(2-Cyano-2-{[3,5-dichloro-4-(5-isopropyl-1-methyl-6-oxo-1,6-dihydro-pyridazin-3-yloxy)-phenyl]-hydrazono}-acetyl)-carbamic acid ethyl ester
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