CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CN(S(=O)(=O)c1cccc(C(=O)O)c1)CC2c1ccc(C#N)cc1
SMILES: CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CN(S(=O)(=O)c1cccc(C(=O)O)c1)CC2c1ccc(C#N)cc1

Molecular Processing

Molecular formula
C27H20Cl2N4O6S
Molecular weight
599.45
Exact mass
598.0481
XLogP
4.19
TPSA
139.09
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
145.9

Supplementary Information

Details werden geladen…

An 1 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→