名称: ethyl 5-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-3-isoxazolyl]-2-thiazolyl]tetrahydro-2H-1,2-oxazine-2-carboxylate
SMILES:
CCOC(=O)N1CCC(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CO1Molecular Processing
Molecular formula
C19H19F2N3O4S
Molecular weight
423.44
Exact mass
423.1064
XLogP
4.16
TPSA
73.25
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
100.49
Supplementary Information
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