CCCOCCOC(=O)C1=C(C)NC(C)=C(C=CS(=O)(=O)NC(C)C)C1c1cccc([N+](=O)[O-])c1
SMILES: CCCOCCOC(=O)C1=C(C)NC(C)=C(C=CS(=O)(=O)NC(C)C)C1c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C24H33N3O7S
Molecular weight
507.61
Exact mass
507.2039
XLogP
3.64
TPSA
136.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
132.77

Supplementary Information

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