AC1NKBBT
ethyl 4-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]butanoate
Also Known As: ethyl 4-((2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)thio)butanoate|ethyl 4-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]butanoate|ethyl 4-{[2-(4-methoxyphenyl)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}butanoate
| Molecular Formula | C22H28N2O4S |
|---|---|
| Molecular Weight | 416.17697 g/mol |
| LogP | 4.4389 |
| Topological Polar Surface Area | 70.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.17697 |
| Monoisotopic Mass | 416.17697 |
| Heavy Atoms | 29 |
| Complexity | 852.6359 |
Chemical Identifiers
| CAS Number | 902017-99-6 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=NC(=NC2=C1COC(C2)(C)C)C3=CC=C(C=C3)OC |
Product Overview
AC1NKBBT (CAS 902017-99-6), with molecular formula C22H28N2O4S and molecular weight 416.17697 g/mol. IUPAC: ethyl 4-[[2-(4-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]butanoate.
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