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88735-48-2 | 2H-1-Benzopyran-2-one, 3-(2-phenyl-4-thiazolyl)-
CAS No: 88735-48-2 Catalog No: AG0045I5 MDL No:
Product Description
Catalog Number:
AG0045I5
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-phenyl-4-thiazolyl)-
CAS Number:
88735-48-2
Molecular Formula:
C18H11NO2S
Molecular Weight:
305.3504
IUPAC Name:
3-(2-phenyl-1,3-thiazol-4-yl)chromen-2-one
InChI:
InChI=1S/C18H11NO2S/c20-18-14(10-13-8-4-5-9-16(13)21-18)15-11-22-17(19-15)12-6-2-1-3-7-12/h1-11H
InChI Key:
NYIBHLXITYCPIF-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2cc1c1csc(n1)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.351g/mol
Monoisotopic Mass:
305.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
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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