C1CN(C2=C(N1)N=CC(=C2)C3=CC=C(C=C3)C(=O)O)CC4=C(C=CC(=C4)Cl)C(F)(F)F
الاسم: 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid
SMILES: C1CN(C2=C(N1)N=CC(=C2)C3=CC=C(C=C3)C(=O)O)CC4=C(C=CC(=C4)Cl)C(F)(F)F

Molecular Processing

Molecular formula
C22H17ClF3N3O2
Molecular weight
447.84
Exact mass
447.0961
XLogP
5.55
TPSA
65.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
112.63

Supplementary Information

InChIKey: BXIKNVHYEXACIR-UHFFFAOYSA-N
مرادفات
CHEMBL11635104-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acidSCHEMBL1600437BDBM503210574-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}benzoic acid
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