SMILES:
COC(=O)[C@H](Cc1ccc(-c2ccc(C#N)cc2)cc1)NC(=O)C1Cc2cc3c(cc2CN1C(=O)OC(C)(C)C)O[C@@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N3Molecular Processing
Molecular formula
C47H42Cl2N4O8
Molecular weight
861.78
Exact mass
860.238
XLogP
8.75
TPSA
156.29
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
61
Rings
7
Aromatic rings
5
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.255
Molar refractivity
229.19
Supplementary Information
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