SMILES:
O=S(=O)(C=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)Cc1cccc(N2CCNCC2)c1Molecular Processing
Molecular formula
C28H29Cl2N3O2S
Molecular weight
542.53
Exact mass
541.1358
XLogP
5.31
TPSA
52.65
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
148.55
Supplementary Information
Récupération des détails…
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