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1316652-41-1 | Benzamide, N-hydroxy-3-[1-[(phenylthio)methyl]-1H-1,2,3-triazol-4-yl]-
CAS No: 1316652-41-1 Catalog No: AG000ZJW MDL No:
Product Description
Catalog Number:
AG000ZJW
Chemical Name:
Benzamide, N-hydroxy-3-[1-[(phenylthio)methyl]-1H-1,2,3-triazol-4-yl]-
CAS Number:
1316652-41-1
Molecular Formula:
C16H14N4O2S
Molecular Weight:
326.3730
IUPAC Name:
N-hydroxy-3-[1-(phenylsulfanylmethyl)triazol-4-yl]benzamide
InChI:
InChI=1S/C16H14N4O2S/c21-16(18-22)13-6-4-5-12(9-13)15-10-20(19-17-15)11-23-14-7-2-1-3-8-14/h1-10,22H,11H2,(H,18,21)
InChI Key:
DORPIZJGSLWDIY-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cccc(c1)c1nnn(c1)CSc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.374g/mol
Monoisotopic Mass:
326.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Histone deacetylase inhibitor valproic acid promotes the differentiation of human induced pluripotent stem cells into hepatocyte-like cells. | PloS one 20140101 |
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