Name: 5-Methyl-3-[(2-(N-methyl-N-(1-methyl-4-piperidinyl)aminosulfonyl) phenylsulfonyloxy]phenoxy propoxy}guanidine dihydrochloride
SMILES:
Cc1cccc(OC(CCONC(=N)N)OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C2CCN(C)CC2)c1.Cl.ClMolecular Processing
Molecular formula
C24H37Cl2N5O7S2
Molecular weight
642.63
Exact mass
641.1511
XLogP
2.47
TPSA
164.35
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.458
Molar refractivity
155.89
Supplementary Information
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