CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2C(C)=O)c1
SMILES: CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2C(C)=O)c1

Molecular Processing

Molecular formula
C25H31N3O5S2
Molecular weight
517.67
Exact mass
517.1705
XLogP
5.28
TPSA
107.36
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
136.21

Supplementary Information

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