AC1LZZU8
5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
Also Known As: (E)-5-(azepan-1-yl)-2-((3-(4-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile|5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile|5-(azepan-1-yl)-2-{(E)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile|5-(AZEPAN-1-YL)-2-{[(5E)-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C22H22N4O3S2 |
|---|---|
| Molecular Weight | 454.11334 g/mol |
| LogP | 4.33668 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11334 |
| Monoisotopic Mass | 454.11334 |
| Heavy Atoms | 31 |
| Complexity | 1047.6986 |
Chemical Identifiers
| CAS Number | 847176-07-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=NC(=C(O3)N4CCCCCC4)C#N)/SC2=S |
Product Overview
AC1LZZU8 (CAS 847176-07-2), with molecular formula C22H22N4O3S2 and molecular weight 454.11334 g/mol. IUPAC: 5-(azepan-1-yl)-2-[(E)-[3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile.
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