AC1LXUTP
2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: MLS-0327143.0001|(Z)-2-(diethylamino)ethyl 4-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate|2-(diethylamino)ethyl 4-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate|2-diethylaminoethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
| Molecular Formula | C28H26N4O4S |
|---|---|
| Molecular Weight | 514.1675 g/mol |
| LogP | 5.39168 |
| Topological Polar Surface Area | 108.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.1675 |
| Monoisotopic Mass | 514.1675 |
| Heavy Atoms | 37 |
| Complexity | 1511.7196 |
Chemical Identifiers
| CAS Number | 799770-72-2 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
AC1LXUTP (CAS 799770-72-2), with molecular formula C28H26N4O4S and molecular weight 514.1675 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
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