SMILES:
O=C(O)[C@H]1CCC[C@@H](C(=O)c2ccc(-c3ccc(Nc4nc5ccc(Cl)cc5s4)cc3)cc2)C1Molecular Processing
Molecular formula
C27H23ClN2O3S
Molecular weight
491.01
Exact mass
490.1118
XLogP
7.43
TPSA
79.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
137.2
Supplementary Information
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