CC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2C)N3CCN(CC3)C(=O)OC(C)(C)C)CC(C)C)F
Название: tert-butyl 4-[6-(3-fluoro-4-methylphenyl)-5-methyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl]piperazine-1-carboxylate
SMILES: CC1=C(C=C(C=C1)C2=NN(C(=O)C(=C2C)N3CCN(CC3)C(=O)OC(C)(C)C)CC(C)C)F

Molecular Processing

Molecular formula
C25H35FN4O3
Molecular weight
458.58
Exact mass
458.2693
XLogP
4.38
TPSA
67.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
128.22

Supplementary Information

InChIKey: PLGOPLVQZJZJLO-UHFFFAOYSA-N
Синонимы
SCHEMBL1926989PLGOPLVQZJZJLO-UHFFFAOYSA-N4-(4-tert-butoxycarbonyl-1-piperazinyl)-methyl-6-(3-flu oro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one4-(4-tert-butoxycarbonyl-1-piperazinyl)-methyl-6-(3-fluoro-4-methylphenyl)-2-isobutyl-2H-pyridazin-3-one
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