SMILES:
O=C(NCc1ccc(Cl)cc1)c1cn(CCN2CCOCC2)c2sc(CN3CCC[C@@H]3[C@@H](O)c3ccccc3)cc2c1=OMolecular Processing
Molecular formula
C33H37ClN4O4S
Molecular weight
621.2
Exact mass
620.2224
XLogP
4.68
TPSA
87.04
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
170.8
Supplementary Information
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