AC1MZDT0
2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: IFLab1_000603|IDI1_008822|AE-848/11419238|SR-01000416909-1|2-(allylsulfanyl)-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile|2-(allylthio)-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile|2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile|6-OXO-2-(PROP-2-EN-1-YLSULFANYL)-4-[4-(PROPAN-2-YL)PHENYL]-1,4,5,6-TETRAHYDROPYRIDINE-3-CARBONITRILE|6-oxo-4-[4-(propan-2-yl)phenyl]-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.12964 g/mol |
| LogP | 4.06788 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.12964 |
| Monoisotopic Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 638.04614 |
Chemical Identifiers
| CAS Number | 316360-64-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC=C |
Product Overview
AC1MZDT0 (CAS 316360-64-2), with molecular formula C18H20N2OS and molecular weight 312.12964 g/mol. IUPAC: 2-oxo-4-(4-propan-2-ylphenyl)-6-prop-2-enylsulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile.
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