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81066-86-6 | 4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl]-
CAS No: 81066-86-6 Catalog No: AG005HI2 MDL No:MFCD02625757
Product Description
Catalog Number:
AG005HI2
Chemical Name:
4(1H)-Quinazolinone,2,3-dihydro-2-thioxo-3-[3-(trifluoromethyl)phenyl]-
CAS Number:
81066-86-6
Molecular Formula:
C15H9F3N2OS
Molecular Weight:
322.3050
MDL Number:
MFCD02625757
IUPAC Name:
2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-4-one
InChI:
InChI=1S/C15H9F3N2OS/c16-15(17,18)9-4-3-5-10(8-9)20-13(21)11-6-1-2-7-12(11)19-14(20)22/h1-8H,(H,19,22)
InChI Key:
YUXDGVQAVUZOSI-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(=O)n1c1cccc(c1)C(F)(F)F
NSC Number:
209934
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.039g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.305g/mol
Monoisotopic Mass:
322.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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