C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)cc2C#CCN(CC)CC)cc(F)c1NS(C)(=O)=O
SMILES: C#Cc1cc(CNC(=O)C=Cc2ccc(C(F)(F)F)cc2C#CCN(CC)CC)cc(F)c1NS(C)(=O)=O

Molecular Processing

Molecular formula
C27H27F4N3O3S
Molecular weight
549.59
Exact mass
549.1709
XLogP
4.22
TPSA
78.51
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
38
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
139.79

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→