SMILES:
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)CN(CCN(C)C)Cc2ccc(Cl)cc2)CC1=OMolecular Processing
Molecular formula
C52H79ClN2O6
Molecular weight
863.66
Exact mass
862.5627
XLogP
10.92
TPSA
93.22
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
61
Rings
6
Aromatic rings
1
Saturated rings
4
Aliphatic rings
5
Stereo centers
8
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
243.84
Supplementary Information
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