| CAS Number | 1429192-00-6 |
| Catalog Number | AG00A18V |
| Chemical Name | 2,3-Dihydro-2-(5-methyl-2-thienyl)-3-phenyl-4(1H)-quinazolinone |
| IUPAC Name | 2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one |
| InChI | InChI=1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3 |
| InChI Key | BOAPXDSRULBILC-UHFFFAOYSA-N |
| MDL Number | MFCD28124399 |
| Molecular Formula | C19H16N2OS |
| Molecular Weight | 320.4081 |
| SMILES | CC1=CC=C(S1)C1NC2=CC=CC=C2C(N1C1=CC=CC=C1)=O |
| Synonyms | retro-2,
1429192-00-6,
Retro-2 cycl,
2,3-Dihydro-2-(5-methyl-2-thienyl)-3-phenyl-4(1H)-quinazolinone,
CHEMBL2322644,
SCHEMBL15558640,
AOB1228,
SYN5223,
EX-A2664,
Retro-2, >=98% (HPLC),
AS-16580,
RN 1-001,
HY-114698,
CS-0064117,
(+/-)-2-(5-methylthiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1h)-one,
C18H16N2OS,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.41g/mol |
| Monoisotopic Mass | 320.098g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number