名称: N-(2-nitrobenzenesulfonyl)-N-(2-pyridinylmethyl)-N′-(2-aminoethyl)-N′-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
SMILES:
NCCN(Cc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)C1CCCc2cccnc21Molecular Processing
Molecular formula
C31H34N6O4S
Molecular weight
586.72
Exact mass
586.2362
XLogP
4.61
TPSA
135.56
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
42
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
159.59
Supplementary Information
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