CCOC(=O)/C(=N\OC1CCC(=O)CC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
SMILES: CCOC(=O)/C(=N\OC1CCC(=O)CC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

Molecular Processing

Molecular formula
C32H31N3O4S
Molecular weight
553.68
Exact mass
553.2035
XLogP
6.34
TPSA
89.88
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
156.46

Supplementary Information

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