CC(C)CN(C(CCCCNC(=O)C=Cc1ccc2c(c1)OCO2)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
SMILES: CC(C)CN(C(CCCCNC(=O)C=Cc1ccc2c(c1)OCO2)C(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C26H31N3O9S
Molecular weight
561.61
Exact mass
561.1781
XLogP
3.42
TPSA
165.38
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
141.71

Supplementary Information

No supplementary data available

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