Name: trans-4-{4-[Methyl-(4-trifluoromethyl-benzenesulfonyl)-amino]-cyclohexyloxy}-butyrimidic acid ethyl ester
SMILES:
CCOC(=N)CCCO[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1Molecular Processing
Molecular formula
C20H29F3N2O4S
Molecular weight
450.52
Exact mass
450.18
XLogP
4.45
TPSA
79.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
106.98
Supplementary Information
Details werden geladen…
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