SMILES:
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)N(C)C(=O)[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3Molecular Processing
Molecular formula
C50H44Cl3N3O6
Molecular weight
889.28
Exact mass
887.2296
XLogP
10.68
TPSA
108.41
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
62
Rings
8
Aromatic rings
6
Saturated rings
0
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.22
Molar refractivity
243.12
Supplementary Information
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