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Home > Other Heterocycles > 796067-45-3
796067-45-3 | 5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
CAS No: 796067-45-3 Catalog No: AG019NRB MDL No:MFCD06370766
Product Description
Catalog Number:
AG019NRB
Chemical Name:
5-cyano-2-methyl-N-phenyl-4-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-1-carboxamide
CAS Number:
796067-45-3
Molecular Formula:
C19H21N3OS
Molecular Weight:
339.4545
MDL Number:
MFCD06370766
IUPAC Name:
1-cyano-4-methyl-N-phenyl-2-sulfanyl-3-azaspiro[5.5]undeca-1,4-diene-5-carboxamide
InChI:
InChI=1S/C19H21N3OS/c1-13-16(17(23)22-14-8-4-2-5-9-14)19(10-6-3-7-11-19)15(12-20)18(24)21-13/h2,4-5,8-9,21,24H,3,6-7,10-11H2,1H3,(H,22,23)
InChI Key:
JUTVYLYWKQBDJI-UHFFFAOYSA-N
SMILES:
N#CC1=C(S)NC(=C(C21CCCCC2)C(=O)Nc1ccccc1)C
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.141g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.457g/mol
Monoisotopic Mass:
339.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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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