| CAS Number | 1879887-96-3 |
| Catalog Number | AG01ENKF(AGN-PC-3H45O7) |
| Chemical Name | 8-(4-Dibenzothienyll)-2-(4-morpholinyl)-4H-1,3-benzoxazin-4-one |
| IUPAC Name | 8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one |
| InChI | InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2 |
| InChI Key | SMMSWOMXOZLOPI-UHFFFAOYSA-N |
| MDL Number | MFCD30536366 |
| Molecular Formula | C24H18N2O3S |
| Molecular Weight | 414.4763 |
| SMILES | O=C1N=C(N2CCOCC2)OC3=C(C4=C5C(C6=CC=CC=C6S5)=CC=C4)C=CC=C13 |
| Synonyms | LTURM34,
1879887-96-3,
CHEMBL3764883,
8-(4-Dibenzothienyll)-2-(4-morpholinyl)-4H-1,3-benzoxazin-4-one,
LTURM 34,
EX-A2583,
BDBM50147675,
AKOS030210960,
ZINC653813192,
CS-6551,
HY-101667,
S8427,
8-dibenzothiophen-4-yl-2-morpholin-4-yl-1,3-benzoxazin-4-one,
8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-benzo[e][1,3]oxazin-4-one,
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| Complexity | 694 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.479g/mol |
| Monoisotopic Mass | 414.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number