名称: N-(1-cyanocyclopropyl)-2-[[2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
SMILES:
CCCC(NC(c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1Molecular Processing
Molecular formula
C24H26F3N3O3S
Molecular weight
493.55
Exact mass
493.1647
XLogP
4.29
TPSA
99.06
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
121.34
Supplementary Information
InChIKey: LHAPGSDMOUJXAW-UHFFFAOYSA-N
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