Nombre: methyl 3-({5-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]-4-(trifluoromethyl)pyrimidin-2-yl}amino)adamantane-1-carboxylate
SMILES:
COC(=O)C12CC3CC(CC(Nc4ncc(C(=O)N5CCS(=O)(=O)CC5)c(C(F)(F)F)n4)(C3)C1)C2Molecular Processing
Molecular formula
C22H27F3N4O5S
Molecular weight
516.54
Exact mass
516.1654
XLogP
2.29
TPSA
118.56
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
35
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
117.08
Supplementary Information
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