O=C(O)c1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
SMILES: O=C(O)c1ccc(S(=O)(=O)CCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1

Molecular Processing

Molecular formula
C39H33Cl3N2O6S2
Molecular weight
796.19
Exact mass
794.0846
XLogP
8.62
TPSA
122.54
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
52
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
207.02

Supplementary Information

Details werden geladen…

An 7 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→