Name: [4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-{1-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-pentyl}-amine
SMILES:
CCCCC(Nc1ccc(OCCN2CCCC2)cc1)c1ccc(OC2CCCCO2)cc1Molecular Processing
Molecular formula
C28H40N2O3
Molecular weight
452.64
Exact mass
452.3039
XLogP
6.41
TPSA
42.96
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
134.16
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→