SMILES:
COC(=O)c1ccc(C=Cc2nc(NC(C)=O)sc2Cc2ccc(SC)cc2)cc1Molecular Processing
Molecular formula
C23H22N2O3S2
Molecular weight
438.57
Exact mass
438.1072
XLogP
5.37
TPSA
68.29
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
124.16
Supplementary Information
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