CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4cccnc4)c(Cl)c2)CCN3CC(C)C)cc1
SMILES: CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4cccnc4)c(Cl)c2)CCN3CC(C)C)cc1

Molecular Processing

Molecular formula
C39H44ClN3O4S
Molecular weight
686.32
Exact mass
685.2741
XLogP
8.79
TPSA
80.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
15
Heavy atoms
48
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
197.18

Supplementary Information

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