AC1N1UBC
13-ethoxy-4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-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-hexaene
Also Known As: 8-ethoxy-2,2-dimethyl-10-(methylsulfanyl)-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-ethoxy-2,2-dimethyl-10-(methylthio)-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C21H26N4O3S2 |
|---|---|
| Molecular Weight | 446.14462 g/mol |
| LogP | 4.048 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.14462 |
| Monoisotopic Mass | 446.14462 |
| Heavy Atoms | 30 |
| Complexity | 1109.004 |
Chemical Identifiers
| CAS Number | 849032-97-9 |
|---|---|
| SMILES | CCOC1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)N5CCOCC5)SC |
Product Overview
AC1N1UBC (CAS 849032-97-9), with molecular formula C21H26N4O3S2 and molecular weight 446.14462 g/mol. IUPAC: 13-ethoxy-4,4-dimethyl-15-methylsulfanyl-8-morpholin-4-yl-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-hexaene.
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