Nombre: Methyl 4-(4-cyanophenyl)-6-methyl-2-(methylsulfanyl)-1-[3-(trifluoromethyl)-phenyl]-1,4-dihydro-5-pyrimidinecarboxylate
SMILES:
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(SC)=NC1c1ccc(C#N)cc1Molecular Processing
Molecular formula
C22H18F3N3O2S
Molecular weight
445.47
Exact mass
445.1072
XLogP
5.3
TPSA
65.69
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.49
Supplementary Information
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