Nombre: 3-[5-methyl-3-[(2-(N-methyl-N-(1-methyl-4-piperidinyl)aminosulfonyl)phenylsulfonyloxy]phenoxy]propoxy}phthalimide
SMILES:
Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C2CCN(C)CC2)c(OCCCOc2cccc3c2C(=O)NC3=O)c1Molecular Processing
Molecular formula
C31H35N3O9S2
Molecular weight
657.77
Exact mass
657.1815
XLogP
3.21
TPSA
148.62
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
45
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
164.75
Supplementary Information
Obteniendo detalles…
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