이름: N-(benzoyl)-3-ethoxycarbonyl-N′-[(4-fluoro-indol-3-yl)-oxoacetyl]-piperazine
SMILES:
CCOC(=O)C1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12Molecular Processing
Molecular formula
C24H22FN3O5
Molecular weight
451.45
Exact mass
451.1543
XLogP
2.41
TPSA
99.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
117.07
Supplementary Information
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