AC1LR39Y
13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-(furan-2-yl)-4,4-dimethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(furan-2-yl)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(furan-2-yl)-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C26H21N3O4S2 |
|---|---|
| Molecular Weight | 503.09735 g/mol |
| LogP | 6.3718 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.09735 |
| Monoisotopic Mass | 503.09735 |
| Heavy Atoms | 35 |
| Complexity | 1594.0612 |
Chemical Identifiers
| CAS Number | 488796-62-9 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)SCC5=CC6=C(C=C5)OCO6)C7=CC=CO7)C |
Product Overview
AC1LR39Y (CAS 488796-62-9), with molecular formula C26H21N3O4S2 and molecular weight 503.09735 g/mol. IUPAC: 13-(1,3-benzodioxol-5-ylmethylsulfanyl)-8-(furan-2-yl)-4,4-dimethyl-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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