Cn1nnnc1C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=S)CCC#N)[C@H]2SC1
SMILES: Cn1nnnc1C=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=S)CCC#N)[C@H]2SC1

Molecular Processing

Molecular formula
C28H25N7O3S2
Molecular weight
571.69
Exact mass
571.146
XLogP
3.31
TPSA
126.03
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
153.14

Supplementary Information

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