Name: 1,1-dimethylethyl-4-[(4-cyano-5-fluoro-2,3-dihydro-1H-inden-1-yl)methyl]piperazine-1-carboxylate
SMILES:
CC(C)(C)C1CN(CC2CCc3c2ccc(F)c3C#N)CCN1C(=O)[O-]Molecular Processing
Molecular formula
C20H25FN3O2-
Molecular weight
358.44
Exact mass
358.1936
XLogP
2.1
TPSA
70.4
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
93.96
Supplementary Information
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