الاسم: (R)-4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester
SMILES:
COC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1ClMolecular Processing
Molecular formula
C16H13ClFN3O2S
Molecular weight
365.82
Exact mass
365.0401
XLogP
3.47
TPSA
63.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
90.65
Supplementary Information
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