AC1LUNMD
13-benzylsulfanyl-4,4-dimethyl-8-(2-methylpropyl)-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: Oprea1_098764|8-(benzylsulfanyl)-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-(benzylthio)-5-isobutyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C25H27N3OS2 |
|---|---|
| Molecular Weight | 449.15955 g/mol |
| LogP | 6.5816 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.15955 |
| Monoisotopic Mass | 449.15955 |
| Heavy Atoms | 31 |
| Complexity | 1248.3354 |
Chemical Identifiers
| CAS Number | 672272-72-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC5=CC=CC=C5 |
Product Overview
AC1LUNMD (CAS 672272-72-9), with molecular formula C25H27N3OS2 and molecular weight 449.15955 g/mol. IUPAC: 13-benzylsulfanyl-4,4-dimethyl-8-(2-methylpropyl)-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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