AC1NRFJE
1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
Also Known As: 1-Butyl-4-methyl-6-(morpholin-4-yl)-2-oxo-5-{[4-oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,2-dihydropyridine-3-carbonitrile|1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14462 g/mol |
| LogP | 3.0523 |
| Topological Polar Surface Area | 78.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.14462 |
| Monoisotopic Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 1032.6624 |
Chemical Identifiers
| CAS Number | 7064-63-3 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC=C)N3CCOCC3 |
Product Overview
AC1NRFJE (CAS 7064-63-3), with molecular formula C22H26N4O3S2 and molecular weight 458.14462 g/mol. IUPAC: 1-butyl-4-methyl-6-morpholin-4-yl-2-oxo-5-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridine-3-carbonitrile.
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