SMILES:
CC(=C(C(=O)OCC(Cl)(Cl)Cl)N1C(=O)C2N=C(Cc3ccccc3)SC21)N1CCOCC1Molecular Processing
Molecular formula
C21H22Cl3N3O4S
Molecular weight
518.85
Exact mass
517.0397
XLogP
3.39
TPSA
71.44
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
125.94
Supplementary Information
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