الاسم: 4-[3-methyl-2,5-dioxo-1-(3-trifluoromethyl-phenyl)-1,2,3,4,5,6,7,8-octahydro-quinazolin-4-yl]-3-methylsulfanyl-benzonitrile
SMILES:
CSc1cc(C#N)ccc1C1C2=C(CCCC2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CMolecular Processing
Molecular formula
C24H20F3N3O2S
Molecular weight
471.5
Exact mass
471.1228
XLogP
5.92
TPSA
64.41
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
118.65
Supplementary Information
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