名称: 2-chloro-4-{2,5-dichloro-4-[3-(4-cyclopropyl-3,4-dihydro-2H-quinoxaline-1-carbonyl)-pyridin-2-yloxy]-phenylethynyl}-benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(C#Cc2cc(Cl)c(Oc3ncccc3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cc1ClMolecular Processing
Molecular formula
C33H24Cl3N3O4
Molecular weight
632.93
Exact mass
631.0832
XLogP
7.65
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
43
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
168.03
Supplementary Information
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