AC1MFHKP
5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one
Also Known As: CBMicro_013876|BAS 00333964|BIM-0014073.P001|AB00098604-01|5-methyl-3-(2-methylpropyl)-5-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}dihydrofuran-2(3H)-one (non-preferred name)|5-methyl-3-(2-methylpropyl)-5-[2-(5-phenyl(4H-1,2,4-triazol-3-ylthio))acetyl]- 3,4,5-trihydrofuran-2-one|5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one
| Molecular Formula | C19H23N3O3S |
|---|---|
| Molecular Weight | 373.14603 g/mol |
| LogP | 3.5008 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.14603 |
| Monoisotopic Mass | 373.14603 |
| Heavy Atoms | 26 |
| Complexity | 790.33685 |
Chemical Identifiers
| CAS Number | 5835-76-7 |
|---|---|
| SMILES | CC(C)CC1CC(OC1=O)(C)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3 |
Product Overview
AC1MFHKP (CAS 5835-76-7), with molecular formula C19H23N3O3S and molecular weight 373.14603 g/mol. IUPAC: 5-methyl-3-(2-methylpropyl)-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxolan-2-one.
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