CAS: 920509-93-9
이름: 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-ylpyridazin-3-one
SMILES:
CC(C)C1=CC(=NN(C1=O)C)CC2=C(C=C(C=C2Cl)N)ClMolecular Processing
Molecular formula
C15H17Cl2N3O
Molecular weight
326.23
Exact mass
325.0749
XLogP
3.38
TPSA
60.91
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
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
0.333
Molar refractivity
87.25
Supplementary Information
InChIKey: HJVJWLUMSFAECY-UHFFFAOYSA-N
동의어
SCHEMBL2920651HJVJWLUMSFAECY-UHFFFAOYSA-NDB-1401626-(4-Amino-2,6-dichloro-benzyl)-4-isopropyl-2-methyl-2H-pyridazin-3-one6-(4-Amino-2,6-dichlorobenzyl)-4-isopropyl-2-methylpyridazin-3(2h)-one920509-93-9
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