Name: {3-[5-Methyl-3-(2-(N-ethyl-N-(4-pyridylmethyl)aminosulfonyl)phenylsulfonyloxy) phenoxy]propoxy}guanidine dihydrochloride
SMILES:
CCN(Cc1ccncc1)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCONC(=N)N)c1.Cl.ClMolecular Processing
Molecular formula
C25H33Cl2N5O7S2
Molecular weight
650.61
Exact mass
649.1198
XLogP
3.4
TPSA
174
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
41
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.28
Molar refractivity
158.55
Supplementary Information
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