AC1NRDFU
5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile
Also Known As: 5-({3-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4-methyl-6-(morpholin-4-yl)-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile|5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile
| Molecular Formula | C26H26N4O5S2 |
|---|---|
| Molecular Weight | 538.13446 g/mol |
| LogP | 3.4051 |
| Topological Polar Surface Area | 97.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.13446 |
| Monoisotopic Mass | 538.13446 |
| Heavy Atoms | 37 |
| Complexity | 1405.143 |
Chemical Identifiers
| CAS Number | 7064-01-9 |
|---|---|
| SMILES | CCCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CC3=CC4=C(C=C3)OCO4)N5CCOCC5 |
Product Overview
AC1NRDFU (CAS 7064-01-9), with molecular formula C26H26N4O5S2 and molecular weight 538.13446 g/mol. IUPAC: 5-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-4-methyl-6-morpholin-4-yl-2-oxo-1-propylpyridine-3-carbonitrile.