| CAS Number | 942135-14-0 |
| Catalog Number | AG01FN9K(AGN-PC-3H4BD3) |
| Chemical Name | 4-(4-Methoxyphenyl)thieno[2,3-b:5,4-c']dipyridine-2-carboxamide |
| IUPAC Name | 13-(4-methoxyphenyl)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-11-carboxamide |
| InChI | InChI=1S/C18H13N3O2S/c1-23-11-4-2-10(3-5-11)13-8-14(17(19)22)21-18-16(13)12-6-7-20-9-15(12)24-18/h2-9H,1H3,(H2,19,22) |
| InChI Key | NAQZGMVCADAKFA-UHFFFAOYSA-N |
| MDL Number | MFCD32011820 |
| Molecular Formula | C18H13N3O2S |
| Molecular Weight | 335.3797 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC3=C2C4=C(S3)C=NC=C4)C(=O)N |
| Synonyms | 4-(4-Methoxyphenyl)thieno[2,3-b:5,4-c']dipyridine-2-carboxamide,
942135-14-0,
|
| Complexity | 469 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.381g/mol |
| Monoisotopic Mass | 335.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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