CC1CCCCN1c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1NS(C)(=O)=O
Name: title compound
SMILES: CC1CCCCN1c1ccc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)cc1NS(C)(=O)=O

Molecular Processing

Molecular formula
C21H25N5O5S2
Molecular weight
491.6
Exact mass
491.1297
XLogP
2.8
TPSA
148.49
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
125.67

Supplementary Information

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