Nombre: 4-(6-chloro-quinolin-2-yl)-piperazine-1-carboxylic acid tert.-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCN(c2ccc3cc(Cl)ccc3n2)CC1Molecular Processing
Molecular formula
C18H22ClN3O2
Molecular weight
347.85
Exact mass
347.1401
XLogP
3.95
TPSA
45.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
96.77
Supplementary Information
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