Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)OC(C)(C)C)[C@H]3[C@]2(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1F
SMILES: Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)OC(C)(C)C)[C@H]3[C@]2(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc1F

Molecular Processing

Molecular formula
C31H43FN4O6S2
Molecular weight
650.84
Exact mass
650.2608
XLogP
5.94
TPSA
132.5
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
165.64

Supplementary Information

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