Nombre: N-[4-[(1-ethylazepan-1-ium-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
SMILES:
CC[N+]1(CCCCCC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(CC3)C=CC(=C4)C5=CC=C(C=C5)CMolecular Processing
Molecular formula
C33H39N2O+
Molecular weight
479.69
Exact mass
479.3057
XLogP
7.54
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
150.69
Supplementary Information
InChIKey: OOONAUHXFGNLKP-UHFFFAOYSA-O
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