SMILES:
CCc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)C2CC2)C2C3CCC(O3)C2C1=OMolecular Processing
Molecular formula
C24H22ClNO4S
Molecular weight
455.96
Exact mass
455.0958
XLogP
5.07
TPSA
65.49
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
6
Aromatic rings
2
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
117.56
Supplementary Information
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