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16486-28-5 | 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-4,6-diphenyl-
CAS No: 16486-28-5 Catalog No: AG001V47 MDL No:
Product Description
Catalog Number:
AG001V47
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-4,6-diphenyl-
CAS Number:
16486-28-5
Molecular Formula:
C17H18N2S2
Molecular Weight:
314.4682
IUPAC Name:
3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C17H18N2S2/c1-18-15(13-9-5-3-6-10-13)19(2)17(20)21-16(18)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3
InChI Key:
VWLWUCKZXTYFGA-UHFFFAOYSA-N
SMILES:
CN1C(SC(=S)N(C1c1ccccc1)C)c1ccccc1
NSC Number:
157369
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.465g/mol
Monoisotopic Mass:
314.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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