AC1M0PRR
5-(azepan-1-yl)-2-[(E)-(3-benzyl-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-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile|5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile|5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile|5-(AZEPAN-1-YL)-2-{[(5E)-3-BENZYL-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C21H20N4O2S2 |
|---|---|
| Molecular Weight | 424.10278 g/mol |
| LogP | 4.32808 |
| Topological Polar Surface Area | 73.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.10278 |
| Monoisotopic Mass | 424.10278 |
| Heavy Atoms | 29 |
| Complexity | 985.85516 |
Chemical Identifiers
| CAS Number | 848752-29-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(N=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)C#N |
Product Overview
AC1M0PRR (CAS 848752-29-4), with molecular formula C21H20N4O2S2 and molecular weight 424.10278 g/mol. IUPAC: 5-(azepan-1-yl)-2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile.
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