الاسم: 1,2-diethyl 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]tetrahydro-1,2-pyridazinedicarboxylate
SMILES:
CCOC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CN1C(=O)OCCMolecular Processing
Molecular formula
C22H24F2N4O5S
Molecular weight
494.52
Exact mass
494.1435
XLogP
4.61
TPSA
93.56
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
118.27
Supplementary Information
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