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Home > Other Heterocycles > 892299-50-2
892299-50-2 | 8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CAS No: 892299-50-2 Catalog No: AG00IFLV MDL No:MFCD14726872
Product Description
Catalog Number:
AG00IFLV
Chemical Name:
8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
CAS Number:
892299-50-2
Molecular Formula:
C14H17N3S
Molecular Weight:
259.3699
MDL Number:
MFCD14726872
IUPAC Name:
8-methyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione
InChI:
InChI=1S/C14H17N3S/c1-17-9-7-14(8-10-17)15-12(13(18)16-14)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,18)
InChI Key:
YOTXRAMOGZFEOJ-UHFFFAOYSA-N
SMILES:
CN1CCC2(CC1)NC(=S)C(=N2)c1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.371g/mol
Monoisotopic Mass:
259.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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