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755759-50-3 | 4-(furan-2-yl)-6-oxo-2-sulfanyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS No: 755759-50-3 Catalog No: AG019NXE MDL No:MFCD06660515
Product Description
Catalog Number:
AG019NXE
Chemical Name:
4-(furan-2-yl)-6-oxo-2-sulfanyl-1,4,5,6-tetrahydropyridine-3-carbonitrile
CAS Number:
755759-50-3
Molecular Formula:
C10H8N2O2S
Molecular Weight:
220.2477
MDL Number:
MFCD06660515
IUPAC Name:
4-(furan-2-yl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
InChI:
InChI=1S/C10H8N2O2S/c11-5-7-6(8-2-1-3-14-8)4-9(13)12-10(7)15/h1-3,6,15H,4H2,(H,12,13)
InChI Key:
CPJUMRWBAYZYEK-UHFFFAOYSA-N
SMILES:
N#CC1=C(S)NC(=O)CC1c1ccco1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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