CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1
SMILES: CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C(c2cccc([N+](=O)[O-])c2)C([N+](=O)[O-])=C(C)N1

Molecular Processing

Molecular formula
C24H25N5O5
Molecular weight
463.49
Exact mass
463.1856
XLogP
3.41
TPSA
121.86
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
126.6

Supplementary Information

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