SMILES:
Cn1cnc(S[C@H]2[C@H]3[C@H](C(=O)OC(C)(C)C)[C@H]3[C@](NC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@@H]2OCc2ccc(Cl)c(Cl)c2)n1Molecular Processing
Molecular formula
C31H42Cl2N4O7S
Molecular weight
685.67
Exact mass
684.2151
XLogP
5.99
TPSA
130.87
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
169.95
Supplementary Information
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