AC1LZQG5
2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]ethanol
Also Known As: VU0227489-2|MLS-0102305.0001|MLS-0102305.0002|2-(5-Furan-2-yl-2,2-dimethyl-10-methylsulfanyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluore n-8-ylsulfanyl)-ethanol|2-((5-(furan-2-yl)-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)ethanol|2-{[5-(furan-2-yl)-2,2-dimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}ethanol
| Molecular Formula | C21H21N3O3S3 |
|---|---|
| Molecular Weight | 459.0745 g/mol |
| LogP | 5.1571 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0745 |
| Monoisotopic Mass | 459.0745 |
| Heavy Atoms | 30 |
| Complexity | 1235.2294 |
Chemical Identifiers
| CAS Number | 845902-44-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC(=N4)SC)SCCO)C5=CC=CO5)C |
Product Overview
AC1LZQG5 (CAS 845902-44-5), with molecular formula C21H21N3O3S3 and molecular weight 459.0745 g/mol. IUPAC: 2-[[8-(furan-2-yl)-4,4-dimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl]ethanol.
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