Name: 8-(2,6-dichloro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid (5-piperazin-1-ylmethyl-pyridin-2-yl)-amide
SMILES:
COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCNCC4)cn3)c3nccnc23)c1ClMolecular Processing
Molecular formula
C27H26Cl2N6O3
Molecular weight
553.45
Exact mass
552.1443
XLogP
4.67
TPSA
101.5
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
148.43
Supplementary Information
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