| CAS Number | 37029-32-6 |
| Catalog Number | AG01A0QL(AGN-PC-0RD60W) |
| Chemical Name | 2-{[3-(2-Methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide |
| InChI | InChI=1S/C17H16N4O2S/c1-11-6-2-5-9-14(11)21-16(23)12-7-3-4-8-13(12)19-17(21)24-10-15(22)20-18/h2-9H,10,18H2,1H3,(H,20,22) |
| InChI Key | FQHAUIUPJPDEOJ-UHFFFAOYSA-N |
| MDL Number | MFCD07364313 |
| Molecular Formula | C17H16N4O2S |
| Molecular Weight | 340.3995 |
| SMILES | CC1=C(N2C(=O)C3=C(C=CC=C3)N=C2SCC(NN)=O)C=CC=C1 |
| Synonyms | 2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide,
2-((4-Oxo-3-(o-tolyl)-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide,
37029-32-6,
3-(2-methylphenyl)-2-(???methylthio)-3-hydroquinazolin-4-one,
AC1NC8PL,
ZINC6861270,
SBB040754,
STL227780,
AKOS000269003,
MCULE-8275287538,
NE13607,
ST45174803,
EN300-110770,
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide,
(4-Oxo-3-o-tolyl-3,4-dihydroquinazolin-2-ylsulfanyl)acetic acid hydrazide,
CID4507793,
2-[3-(2-methylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetohydrazide,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.401g/mol |
| Monoisotopic Mass | 340.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number