AC1NK3OH
2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N,N-diethylethanamine
Also Known As: 2-((7,7-dimethyl-2-(m-tolyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)-N,N-diethylethanamine|2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N,N-diethylethanamine|2-{[7,7-dimethyl-2-(3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N,N-diethylethanamine
| Molecular Formula | C22H31N3OS |
|---|---|
| Molecular Weight | 385.21878 g/mol |
| LogP | 4.73722 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.21878 |
| Monoisotopic Mass | 385.21878 |
| Heavy Atoms | 27 |
| Complexity | 787.1225 |
Chemical Identifiers
| CAS Number | 900882-52-2 |
|---|---|
| SMILES | CCN(CC)CCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=CC(=C3)C |
Product Overview
AC1NK3OH (CAS 900882-52-2), with molecular formula C22H31N3OS and molecular weight 385.21878 g/mol. IUPAC: 2-[[7,7-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N,N-diethylethanamine.
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