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13906-05-3 | 4(1H)-Quinazolinone, 2,3-dihydro-3-(phenylmethyl)-2-thioxo-
CAS No: 13906-05-3 Catalog No: AG001A3V MDL No:MFCD00125914
Product Description
Catalog Number:
AG001A3V
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-(phenylmethyl)-2-thioxo-
CAS Number:
13906-05-3
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
MDL Number:
MFCD00125914
IUPAC Name:
3-benzyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C15H12N2OS/c18-14-12-8-4-5-9-13(12)16-15(19)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,19)
InChI Key:
PSPZHJCIFHRWNP-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2ccccc2c(=O)n1Cc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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