AC1LR8YO
2-[(4,4-dimethyl-8-propan-2-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-hexaen-13-yl)sulfanyl]-1-phenylethanone
Also Known As: Oprea1_517918|2-((5-isopropyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)-1-phenylethanone|2-[(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio]-1-phenylethanone|2-{[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-phenylethanone
| Molecular Formula | C25H25N3O2S2 |
|---|---|
| Molecular Weight | 463.13882 g/mol |
| LogP | 6.1892 |
| Topological Polar Surface Area | 64.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.13882 |
| Monoisotopic Mass | 463.13882 |
| Heavy Atoms | 32 |
| Complexity | 1329.7808 |
Chemical Identifiers
| CAS Number | 672897-45-9 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC(=O)C5=CC=CC=C5 |
Product Overview
AC1LR8YO (CAS 672897-45-9), with molecular formula C25H25N3O2S2 and molecular weight 463.13882 g/mol. IUPAC: 2-[(4,4-dimethyl-8-propan-2-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-hexaen-13-yl)sulfanyl]-1-phenylethanone.
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