الاسم: Compound 84
SMILES:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(C)C1CCC2C3CCC4CC(OC(=O)NCCCCCC(=O)N5CC(O)CC5C(OC(c5ccc(OC)cc5)c5ccc(OC)cc5)c5ccccc5)CCC4(C)C3CCC12CMolecular Processing
Molecular formula
C93H151N3O8
Molecular weight
1439.24
Exact mass
1438.1501
XLogP
24.59
TPSA
126.87
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
53
Heavy atoms
104
Rings
8
Aromatic rings
3
Saturated rings
5
Aliphatic rings
5
Stereo centers
12
Undefined stereo
12
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.774
Molar refractivity
430.25
Supplementary Information
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