AC1MX1QX
5-(5-bromo-3-ethoxy-2-hydroxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: NCGC00100323-01|2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one|AK-778/11862133|SR-01000080671-1|2-(5-bromo-3-ethoxy-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
| Molecular Formula | C18H20BrN3O3S |
|---|---|
| Molecular Weight | 437.0409 g/mol |
| LogP | 3.4569 |
| Topological Polar Surface Area | 73.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0409 |
| Monoisotopic Mass | 437.0409 |
| Heavy Atoms | 26 |
| Complexity | 883.05164 |
Chemical Identifiers
| CAS Number | 488796-29-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2)Br |
Product Overview
AC1MX1QX (CAS 488796-29-8), with molecular formula C18H20BrN3O3S and molecular weight 437.0409 g/mol. IUPAC: 5-(5-bromo-3-ethoxy-2-hydroxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
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