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875160-00-2 | N-cyclopropyl-2-sulfanylquinoline-4-carboxamide
CAS No: 875160-00-2 Catalog No: AG00GUBW MDL No:MFCD07838472
Product Description
Catalog Number:
AG00GUBW
Chemical Name:
N-cyclopropyl-2-sulfanylquinoline-4-carboxamide
CAS Number:
875160-00-2
Molecular Formula:
C13H12N2OS
Molecular Weight:
244.3122
MDL Number:
MFCD07838472
IUPAC Name:
N-cyclopropyl-2-sulfanylidene-1H-quinoline-4-carboxamide
InChI:
InChI=1S/C13H12N2OS/c16-13(14-8-5-6-8)10-7-12(17)15-11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)
InChI Key:
COBBOATVYIUJJC-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(c1)C(=O)NC1CC1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.312g/mol
Monoisotopic Mass:
244.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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