이름: 3-[5-methyl-3-(2-(N,N-bis(ethoxycarbonylmethyl)aminosulfonyl)phenylsulfonyloxy)phenoxy]propoxyguanidine hydrochloride
SMILES:
CCOC(=O)CN(CC(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)Oc1cc(C)cc(OCCCONC(=N)N)c1.ClMolecular Processing
Molecular formula
C25H35ClN4O11S2
Molecular weight
667.16
Exact mass
666.1432
XLogP
1.48
TPSA
213.71
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
17
Heavy atoms
43
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
155.82
Supplementary Information
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