AC1LYVOC
2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-[(4-bromobenzyl)sulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|2-((4-bromobenzyl)thio)-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|2-[(4-bromophenyl)methylthio]-3-(4-ethoxyphenyl)-3,5,6,7,8-pentahydrobenzo[b]t hiopheno[2,3-d]pyrimidin-4-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 | 1311.2723 |
Chemical Identifiers
| CAS Number | 613226-72-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC5=C3CCCC5 |
Product Overview
AC1LYVOC (CAS 613226-72-5), with molecular formula C25H23BrN2O2S2 and molecular weight 526.03845 g/mol. IUPAC: 2-[(4-bromophenyl)methylsulfanyl]-3-(4-ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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