Name: (R)-6-bromomethyl-4-(2-chloro-4-fluoro-phenyl)-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester
SMILES:
COC(=O)C1=C(CBr)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1ClMolecular Processing
Molecular formula
C16H12BrClFN3O2S
Molecular weight
444.71
Exact mass
442.9506
XLogP
3.85
TPSA
63.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
98.77
Supplementary Information
Details werden geladen…
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