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332357-74-1 | 1-Phenothiazin-10-yl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CAS No: 332357-74-1 Catalog No: AG01EV8D MDL No:
Product Description
Catalog Number:
AG01EV8D
Chemical Name:
1-Phenothiazin-10-yl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CAS Number:
332357-74-1
Molecular Formula:
C23H17N3O2S2
Molecular Weight:
431.5300
IUPAC Name:
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C23H17N3O2S2/c1-15-8-2-3-9-16(15)22-24-25-23(28-22)29-14-21(27)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h2-13H,14H2,1H3
InChI Key:
PARJLJNHPMXQEH-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1nnc(o1)SCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.076g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.528g/mol
Monoisotopic Mass:
431.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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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