Nombre: {3-[(3,5-bis-trifluoromethyl-benzylamino)-methyl]-5,6,7,8-tetrahydro-quinolin-2-yl}-cyclopentylmethyl-ethylamine
SMILES:
CCN(CC1CCCC1)c1nc2c(cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCC2Molecular Processing
Molecular formula
C27H33F6N3
Molecular weight
513.57
Exact mass
513.2579
XLogP
7.3
TPSA
28.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
127.71
Supplementary Information
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