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850072-36-5 | Benzo[b]thiophene-2-carboxamide, N-hydroxy-6-[(phenylacetyl)amino]-
CAS No: 850072-36-5 Catalog No: AG0050PB MDL No:
Product Description
Catalog Number:
AG0050PB
Chemical Name:
Benzo[b]thiophene-2-carboxamide, N-hydroxy-6-[(phenylacetyl)amino]-
CAS Number:
850072-36-5
Molecular Formula:
C17H14N2O3S
Molecular Weight:
326.3697
IUPAC Name:
N-hydroxy-6-[(2-phenylacetyl)amino]-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C17H14N2O3S/c20-16(8-11-4-2-1-3-5-11)18-13-7-6-12-9-15(17(21)19-22)23-14(12)10-13/h1-7,9-10,22H,8H2,(H,18,20)(H,19,21)
InChI Key:
ZZNJYJHJZHVNGK-UHFFFAOYSA-N
SMILES:
ONC(=O)c1cc2c(s1)cc(cc2)NC(=O)Cc1ccccc1
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
326.37g/mol
Monoisotopic Mass:
326.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Benzo[b]thiophene-based histone deacetylase inhibitors. | Bioorganic & medicinal chemistry letters 20070815 |
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