O=c1c2ccc(OCC3OCCO3)cc2ccn1-c1ccc(N2CC[C@@H](N3CCCC3)C2)c(F)c1
SMILES: O=c1c2ccc(OCC3OCCO3)cc2ccn1-c1ccc(N2CC[C@@H](N3CCCC3)C2)c(F)c1

Molecular Processing

Molecular formula
C27H30FN3O4
Molecular weight
479.55
Exact mass
479.222
XLogP
3.56
TPSA
56.17
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
132.12

Supplementary Information

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