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83989-89-3 | 4-(furan-2-yl)-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CAS No: 83989-89-3 Catalog No: AG019NT0 MDL No:MFCD06373482
Product Description
Catalog Number:
AG019NT0
Chemical Name:
4-(furan-2-yl)-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CAS Number:
83989-89-3
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD06373482
IUPAC Name:
4-(furan-2-yl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2OS/c14-7-9-12(11-5-2-6-16-11)8-3-1-4-10(8)15-13(9)17/h2,5-6H,1,3-4H2,(H,15,17)
InChI Key:
XSJCMUQYZUCYTD-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc2c(c1c1ccco1)CCC2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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