Oprea1_072329
3-amino-12,12-dimethyl-8-morpholin-4-yl-5,11-dithia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylic acid
Also Known As: Oprea1_072329|Oprea1_672168|AJ-292/13488007|1-amino-8,8-dimethyl-5-(4-morpholinyl)-8,9-dihydro-6H-thieno[2,3-b]thiopyrano[4,3-d]pyridine-2-carboxylic acid|1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-thieno[2,3-b]thiopyrano[4,3-d]pyridine-2-carboxylic acid|1-amino-8,8-dimethyl-5-morpholino-8,9-dihydro-6H-thieno[2,3-b]thiopyrano[4,3-d]pyridine-2-carboxylic acid
| Molecular Formula | C17H21N3O3S2 |
|---|---|
| Molecular Weight | 379.10245 g/mol |
| LogP | 2.9812 |
| Topological Polar Surface Area | 88.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.10245 |
| Monoisotopic Mass | 379.10245 |
| Heavy Atoms | 25 |
| Complexity | 856.6755 |
Chemical Identifiers
| CAS Number | 204775-54-2 |
|---|---|
| SMILES | CC1(CC2=C(CS1)C(=NC3=C2C(=C(S3)C(=O)O)N)N4CCOCC4)C |
Product Overview
Oprea1_072329 (CAS 204775-54-2), with molecular formula C17H21N3O3S2 and molecular weight 379.10245 g/mol. IUPAC: 3-amino-12,12-dimethyl-8-morpholin-4-yl-5,11-dithia-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene-4-carboxylic acid.