名称: 2,5-dichloro-4-[5-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-2-methyl-pyridin-4-yloxy]-benzoic acid
SMILES:
Cc1cc(Oc2cc(Cl)c(C(=O)O)cc2Cl)c(C(=O)N2CCN(C3CC3)c3ccccc32)cn1Molecular Processing
Molecular formula
C25H21Cl2N3O4
Molecular weight
498.37
Exact mass
497.0909
XLogP
5.82
TPSA
82.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
130.96
Supplementary Information
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