CBMicro_015906
5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylpropyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: CBMicro_015906|BIM-0015963.P001|2-((4-bromobenzyl)thio)-3-isobutyl-6,6-dimethyl-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-(2-methylpropyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|2-[(4-bromophenyl)methylsulfanyl]-6,6-dimethyl-3-(2-methylpropyl)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C22H25BrN2O2S2 |
|---|---|
| Molecular Weight | 492.05408 g/mol |
| LogP | 6.0201 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.05408 |
| Monoisotopic Mass | 492.05408 |
| Heavy Atoms | 29 |
| Complexity | 1100.6831 |
Chemical Identifiers
| CAS Number | 351007-24-4 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)Br)SC4=C2CC(OC4)(C)C |
Product Overview
CBMicro_015906 (CAS 351007-24-4), with molecular formula C22H25BrN2O2S2 and molecular weight 492.05408 g/mol. IUPAC: 5-[(4-bromophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylpropyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.