Name: 4-[4-(4-(methanesulphonyl)piperazin-1-yl)phenyl]-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILES:
CS(=O)(=O)N1CCN(c2ccc(N3CCN(C(=O)O)c4ccccc43)cc2)CC1Molecular Processing
Molecular formula
C20H24N4O4S
Molecular weight
416.5
Exact mass
416.1518
XLogP
2.4
TPSA
84.4
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
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
0.35
Molar refractivity
113.89
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→