O=C(c1cnc(Cc2cccc(Cl)c2)nc1C(F)(F)F)N1CCS(=O)(=O)CC1
SMILES: O=C(c1cnc(Cc2cccc(Cl)c2)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

Molecular Processing

Molecular formula
C17H15ClF3N3O3S
Molecular weight
433.84
Exact mass
433.0475
XLogP
2.61
TPSA
80.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
95.85

Supplementary Information

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