SMILES:
CCC1SC(=O)N(Cc2ccc(NC(=O)C(F)(F)F)cc2)N=C1c1ccc(OC)c(OC)c1Molecular Processing
Molecular formula
C22H22F3N3O4S
Molecular weight
481.5
Exact mass
481.1283
XLogP
5.06
TPSA
80.23
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
119.82
Supplementary Information
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