الاسم: [6-[3-(3-chloro-5-fluoro-6-methoxy-quinolin-4-yl)-2,3-dihydroxy-propyl]-tetrahydro-pyran-3-yl}-carbamic acid tert-butyl ester
SMILES:
COc1ccc2ncc(Cl)c(C(O)C(O)CC3CCC(NC(=O)OC(C)(C)C)CO3)c2c1FMolecular Processing
Molecular formula
C23H30ClFN2O6
Molecular weight
484.95
Exact mass
484.1776
XLogP
3.89
TPSA
110.14
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
120.98
Supplementary Information
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