AC1MGJI4
ethyl 4-amino-5-cyano-11,13-dimethylspiro[3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6,4'-piperidine]-1'-carboxylate
Also Known As: BAS 06900510|AM-807/13614260|ethyl 2'-amino-3'-cyano-7',9'-dimethylspiro[piperidine-4,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-1-carboxylate|ethyl 2'-amino-3'-cyano-7',9'-dimethyl-1H-spiro[piperidine-4,4'-pyrano[2',3':4,5]thieno[2,3-b]pyridine]-1-carboxylate|Ethyl 4-amino-5-cyano-11,13-dimethylspiro[3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6,4'-piperidine]-1'-carboxylate|ethyl 2'-amino-3'-cyano-7',9'-dimethyl-spiro(piperidine-4,4'-[4'H]-pyrano[2',3':4,5]thieno[2,3-b]pyridine)-1-carboxylate
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14127 g/mol |
| LogP | 3.48952 |
| Topological Polar Surface Area | 101.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.14127 |
| Monoisotopic Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 1041.8785 |
Chemical Identifiers
| CAS Number | 445266-75-1 |
|---|---|
| SMILES | CCOC(=O)N1CCC2(CC1)C(=C(OC3=C2SC4=C3C(=CC(=N4)C)C)N)C#N |
Product Overview
AC1MGJI4 (CAS 445266-75-1), with molecular formula C20H22N4O3S and molecular weight 398.14127 g/mol. IUPAC: ethyl 4-amino-5-cyano-11,13-dimethylspiro[3-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),4,10,12-pentaene-6,4'-piperidine]-1'-carboxylate.