이름: methanesulfonic acid 3-sec-butylcarbamoyl-3-(4-cyano-3-trifluoromethyl-phenoxy)-2,2-dimethyl-propyl ester
SMILES:
CCC(C)NC(=O)C(Oc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)COS(C)(=O)=OMolecular Processing
Molecular formula
C19H25F3N2O5S
Molecular weight
450.48
Exact mass
450.1436
XLogP
3.24
TPSA
105.49
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
30
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
103.05
Supplementary Information
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