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16024-85-4 | 4(1H)-Quinazolinone, 2,3-dihydro-3-(2-hydroxyethyl)-2-thioxo-
CAS No: 16024-85-4 Catalog No: AG001RSP MDL No:MFCD04218061
Product Description
Catalog Number:
AG001RSP
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-(2-hydroxyethyl)-2-thioxo-
CAS Number:
16024-85-4
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD04218061
IUPAC Name:
3-(2-hydroxyethyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C10H10N2O2S/c13-6-5-12-9(14)7-3-1-2-4-8(7)11-10(12)15/h1-4,13H,5-6H2,(H,11,15)
InChI Key:
IHCXUWLMVZCHML-UHFFFAOYSA-N
SMILES:
OCCn1c(=S)[nH]c2c(c1=O)cccc2
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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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