AC1LXY7P
5-(4-butoxyphenyl)-12,12-dimethyl-3-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-(4-butoxyphenyl)-6,6-dimethyl-4-((2-methylallyl)thio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|2-(4-butoxyphenyl)-6,6-dimethyl-4-[(2-methylprop-2-en-1-yl)sulfanyl]-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C25H30N2O2S2 |
|---|---|
| Molecular Weight | 454.17487 g/mol |
| LogP | 7.0567 |
| Topological Polar Surface Area | 44.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.17487 |
| Monoisotopic Mass | 454.17487 |
| Heavy Atoms | 31 |
| Complexity | 1087.0902 |
Chemical Identifiers
| CAS Number | 799808-89-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)COC(C4)(C)C)C(=N2)SCC(=C)C |
Product Overview
AC1LXY7P (CAS 799808-89-2), with molecular formula C25H30N2O2S2 and molecular weight 454.17487 g/mol. IUPAC: 5-(4-butoxyphenyl)-12,12-dimethyl-3-(2-methylprop-2-enylsulfanyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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