CC1=CC(=CC(=C1OC2=NN=C(C(=C2)C(C)C)Cl)C)CC(=O)OC
CAS: 920509-08-6
이름: methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate
SMILES: CC1=CC(=CC(=C1OC2=NN=C(C(=C2)C(C)C)Cl)C)CC(=O)OC

Molecular Processing

Molecular formula
C18H21ClN2O3
Molecular weight
348.83
Exact mass
348.1241
XLogP
4.38
TPSA
61.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
92.84

Supplementary Information

InChIKey: OIRKPKPPMUMTDA-UHFFFAOYSA-N
동의어
SCHEMBL2926178OIRKPKPPMUMTDA-UHFFFAOYSA-NDB-091637[4-(6-Chloro-5-isopropyl-pyridazin-3-yloxy)-3,5-dimethyl-phenyl]-acetic acid methyl ester920509-08-6
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