SMILES:
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)OC)N(C)C(=O)[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3Molecular Processing
Molecular formula
C52H46Cl2N4O6
Molecular weight
893.87
Exact mass
892.2794
XLogP
9.99
TPSA
121.2
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
64
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
0.231
Molar refractivity
247.21
Supplementary Information
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