SMILES:
CC(O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21Molecular Processing
Molecular formula
C22H19N3O7S
Molecular weight
469.48
Exact mass
469.0944
XLogP
3.19
TPSA
131.57
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
119.61
Supplementary Information
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