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

Molecular Processing

Molecular formula
C23H28Cl2FNO7S
Molecular weight
552.45
Exact mass
551.0948
XLogP
3.82
TPSA
111.16
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
127.55

Supplementary Information

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