COc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)cc1OC
SMILES: COc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)c(F)c2)cc1OC

Molecular Processing

Molecular formula
C27H24FN3O6S
Molecular weight
537.57
Exact mass
537.137
XLogP
5.33
TPSA
100.17
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
144.55

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt