C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O
CAS: 878672-00-5
الاسم: 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES: C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)O

Molecular Processing

Molecular formula
C17H14BrN3O2S
Molecular weight
404.29
Exact mass
402.999
XLogP
4.24
TPSA
68.01
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
96.9

Supplementary Information

InChIKey: FGQFOYHRJSUHMR-UHFFFAOYSA-N
مرادفات
LESINURAD878672-00-5RDEA594RDEA 594ZurampicRDEA-59409ERP08I3W2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acidCHEBI:90929DUZALLO COMPONENT LESINURADDTXSID2010260912-{[5-broMo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acidlesinuradum((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl)sulfanyl)acetic acid2-((5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETIC ACIDRefChem:56326M04AB05DTXCID901510348((5-bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid(+)-Lesinurad(-)-Lesinurad2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acidLesinurad, (+)-Lesinurad, (-)-Lesinurad, (4R)-Lesinurad, (4S)-MFCD22572730
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