COCCOCC(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OC)c1
SMILES: COCCOCC(=O)N[C@@H](C)[C@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1cccc(OC)c1

Molecular Processing

Molecular formula
C28H30FN3O5
Molecular weight
507.56
Exact mass
507.2169
XLogP
4.46
TPSA
83.84
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
137.69

Supplementary Information

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