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332881-69-3 | N-(2-Bromo-phenyl)-2-[5-(4-hydroxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS No: 332881-69-3 Catalog No: AG01F2YK MDL No:
Product Description
Catalog Number:
AG01F2YK
Chemical Name:
N-(2-Bromo-phenyl)-2-[5-(4-hydroxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CAS Number:
332881-69-3
Molecular Formula:
C22H17BrN4O2S
Molecular Weight:
481.3650
IUPAC Name:
N-(2-bromophenyl)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
InChI:
InChI=1S/C22H17BrN4O2S/c23-18-8-4-5-9-19(18)24-20(29)14-30-22-26-25-21(15-10-12-17(28)13-11-15)27(22)16-6-2-1-3-7-16/h1-13,28H,14H2,(H,24,29)
InChI Key:
GOEOQNGOSVTPKJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1Br)CSc1nnc(n1c1ccccc1)c1ccc(cc1)O
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.026g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
481.368g/mol
Monoisotopic Mass:
480.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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