AC1NYXMR
ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: BAS 01108178|(Z)-ethyl 5-amino-6-cyano-3-oxo-7-(pyridin-4-yl)-2-(pyridin-4-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate|ethyl (2Z)-5-amino-6-cyano-3-oxo-7-(pyridin-4-yl)-2-(pyridin-4-ylmethylidene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate|ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C22H17N5O3S |
|---|---|
| Molecular Weight | 431.10522 g/mol |
| LogP | 0.69068 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10522 |
| Monoisotopic Mass | 431.10522 |
| Heavy Atoms | 31 |
| Complexity | 1399.3085 |
Chemical Identifiers
| CAS Number | 313381-55-4 |
|---|---|
| SMILES | CCOC(=O)C1=C2N(C(=C(C1C3=CC=NC=C3)C#N)N)C(=O)/C(=C/C4=CC=NC=C4)/S2 |
Product Overview
AC1NYXMR (CAS 313381-55-4), with molecular formula C22H17N5O3S and molecular weight 431.10522 g/mol. IUPAC: ethyl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-4-yl-2-(pyridin-4-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
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