O=S(=O)(N=C(NN1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1
SMILES: O=S(=O)(N=C(NN1CCCCC1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C27H27Cl2N5O2S
Molecular weight
556.52
Exact mass
555.1263
XLogP
5.53
TPSA
77.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
148.51

Supplementary Information

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