이름: #204
SMILES:
CC[C@H](C)[C@@H]([C@@H](CC(=O)Oc1c(F)c(F)c(F)c(F)c1F)OC)N(C)C(=O)[C@@H](NC(=O)[C@]1(C)CCCN1C)C(C)CMolecular Processing
Molecular formula
C28H40F5N3O5
Molecular weight
593.63
Exact mass
593.2888
XLogP
4.19
TPSA
88.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
41
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.679
Molar refractivity
140.33
Supplementary Information
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