CN(c1cccc2cc(C3=NCC(C)(C#N)S3)[nH]c12)S(=O)(=O)c1cccs1
SMILES: CN(c1cccc2cc(C3=NCC(C)(C#N)S3)[nH]c12)S(=O)(=O)c1cccs1

Molecular Processing

Molecular formula
C18H16N4O2S3
Molecular weight
416.55
Exact mass
416.0435
XLogP
3.83
TPSA
89.32
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
111.22

Supplementary Information

Récupération des détails…

Impliqué dans 18 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→