AC1MVJ75
3,5-bis(benzylsulfanyl)-12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: Oprea1_679211|2,4-bis(benzylsulfanyl)-6,6-dimethyl-5,6,8,9-tetrahydropyrano[4',3':4,5]pyrrolo[2,3-d]pyrimidine|2,4-bis(benzylthio)-6,6-dimethyl-5,6,8,9-tetrahydropyrano[4',3':4,5]pyrrolo[2,3-d]pyrimidine|3,5-BIS(BENZYLSULFANYL)-12,12-DIMETHYL-11-OXA-4,6,8-TRIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-1(9),2,4,6-TETRAENE
| Molecular Formula | C25H25N3OS2 |
|---|---|
| Molecular Weight | 447.1439 g/mol |
| LogP | 6.3938 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.1439 |
| Monoisotopic Mass | 447.1439 |
| Heavy Atoms | 31 |
| Complexity | 1189.8541 |
Chemical Identifiers
| CAS Number | 371944-68-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)NC3=C2C(=NC(=N3)SCC4=CC=CC=C4)SCC5=CC=CC=C5)C |
Product Overview
AC1MVJ75 (CAS 371944-68-2), with molecular formula C25H25N3OS2 and molecular weight 447.1439 g/mol. IUPAC: 3,5-bis(benzylsulfanyl)-12,12-dimethyl-11-oxa-4,6,8-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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