AC1Q36LX
2-[(3-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-((3-bromobenzyl)thio)-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-[(3-bromobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-[(3-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|5-{[(3-bromophenyl)methyl]sulfanyl}-4-(4-ethoxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C25H23BrN2O2S2 |
|---|---|
| Molecular Weight | 526.03845 g/mol |
| LogP | 6.7795 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.03845 |
| Monoisotopic Mass | 526.03845 |
| Heavy Atoms | 32 |
| Complexity | 1328.5223 |
Chemical Identifiers
| CAS Number | 577696-55-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)Br)SC5=C3CCCC5 |
Product Overview
AC1Q36LX (CAS 577696-55-0), with molecular formula C25H23BrN2O2S2 and molecular weight 526.03845 g/mol. IUPAC: 2-[(3-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.