| CAS Number | 477851-63-1 |
| Catalog Number | AG00IPBJ(AGN-PC-0WAQ0L) |
| Chemical Name | Methyl 3-(5-(benzylcarbamoyl)furan-2-yl)thiophene-2-carboxylate |
| IUPAC Name | methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate |
| InChI | InChI=1S/C18H15NO4S/c1-22-18(21)16-13(9-10-24-16)14-7-8-15(23-14)17(20)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20) |
| InChI Key | FCEIMMQGXAHBGS-UHFFFAOYSA-N |
| MDL Number | MFCD00139403 |
| Molecular Formula | C18H15NO4S |
| Molecular Weight | 341.3810 |
| SMILES | COC(=O)C1=C(C=CS1)C2=CC=C(O2)C(=O)NCC3=CC=CC=C3 |
| Synonyms | 477851-63-1,
methyl 3-[5-(benzylcarbamoyl)furan-2-yl]thiophene-2-carboxylate,
methyl 3-{5-[(benzylamino)carbonyl]-2-furyl}-2-thiophenecarboxylate,
methyl 3-(5-(benzylcarbamoyl)furan-2-yl)thiophene-2-carboxylate,
METHYL 3-(5-((BENZYLAMINO)CARBONYL)-2-FURYL)-2-THIOPHENECARBOXYLATE,
ZINC03029341,
AC1MCCOY,
Oprea1_219982,
KS-00001RK6,
ZINC3029341,
AKOS005076770,
MCULE-5964423124,
11D-023,
Methyl3-(5-((benzylamino)carbonyl)-2-furyl)-2-thiophenecarboxylate,
CID2766430,
|
| Complexity | 452 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 341.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.381g/mol |
| Monoisotopic Mass | 341.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number