Name: 1-[2-[4-[(3-amino-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
SMILES:
CC1=C(C=C(C=C1)CNC2CCN(CC2)CCN3C4=C(C=CC(=C4)OC)N=CC3=O)N.ClMolecular Processing
Molecular formula
C24H32ClN5O2
Molecular weight
458.01
Exact mass
457.2245
XLogP
2.97
TPSA
85.41
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.417
Molar refractivity
131.7
Supplementary Information
InChIKey: LWLWIPRQASNJSO-UHFFFAOYSA-N
Synonyme
SCHEMBL2796245LWLWIPRQASNJSO-UHFFFAOYSA-N1-(2-(4-((3-amino-4-methylbenzyl)amino)piperidin-1-yl)ethyl)-7-methoxyquinoxalin-2(1H)-one hydrochloride
An 2 Reaktionen beteiligt→