AC1LXLXE
5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(3-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((4-bromobenzyl)thio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|2-[(4-bromobenzyl)sulfanyl]-6,6-dimethyl-3-(3-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H23BrN2O2S2 |
|---|---|
| Molecular Weight | 526.03845 g/mol |
| LogP | 6.66172 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.03845 |
| Monoisotopic Mass | 526.03845 |
| Heavy Atoms | 32 |
| Complexity | 1373.4636 |
Chemical Identifiers
| CAS Number | 799794-72-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC=C(C=C4)Br)SC5=C3CC(OC5)(C)C |
Product Overview
AC1LXLXE (CAS 799794-72-2), with molecular formula C25H23BrN2O2S2 and molecular weight 526.03845 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(3-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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