N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-chromene-3-carboxamide
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-nitro-2-oxochromene-3-carboxamide
Also Known As: Oprea1_289967|NCI60_026736|N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-chromene-3-carboxamide|F6782-3558|N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-nitro-2-oxochromene-3-carboxamide|N-[4-(1-adamantyl)thiazol-2-yl]-6-nitro-2-oxo-chromene-3-carboxamide|N-(4-((1s,3s)-adamantan-1-yl)thiazol-2-yl)-6-nitro-2-oxo-2H-chromene-3-carboxamide|6-nitro-2-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-2H-chromene-3-carboxamide|N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxamide
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12018 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.12018 |
| Monoisotopic Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 372184-29-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O |
| InChIKey | RNMNVICFUYUJKU-UHFFFAOYSA-N |
Product Overview
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-6-nitro-2-oxo-2H-chromene-3-carboxamide (CAS 372184-29-7), with molecular formula C23H21N3O5S and molecular weight 451.12018 g/mol. IUPAC: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-nitro-2-oxochromene-3-carboxamide.