COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1C(=O)OC(C)(C)C
Name: compound 1c
SMILES: COc1cc2nccc(Oc3ccc(N)cc3F)c2cc1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C21H21FN2O4
Molecular weight
384.41
Exact mass
384.1485
XLogP
4.71
TPSA
83.67
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
104.35

Supplementary Information

Details werden geladen…

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