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13196-41-3 | Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-
CAS No: 13196-41-3 Catalog No: AG000ZYW MDL No:
Product Description
Catalog Number:
AG000ZYW
Chemical Name:
Cyclohexanecarbothioamide, 4,4-dimethyl-2,6-dioxo-N-phenyl-
CAS Number:
13196-41-3
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
IUPAC Name:
4,4-dimethyl-2,6-dioxo-N-phenylcyclohexane-1-carbothioamide
InChI:
InChI=1S/C15H17NO2S/c1-15(2)8-11(17)13(12(18)9-15)14(19)16-10-6-4-3-5-7-10/h3-7,13H,8-9H2,1-2H3,(H,16,19)
InChI Key:
UZHVEOGUFUNMHG-UHFFFAOYSA-N
SMILES:
S=C(C1C(=O)CC(CC1=O)(C)C)Nc1ccccc1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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