AC1LXRT5
2-[[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-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: Oprea1_115340|2-((5-isobutyl-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)-N-(4-methoxyphenyl)acetamide|2-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C27H30N4O3S2 |
|---|---|
| Molecular Weight | 522.1759 g/mol |
| LogP | 6.0287 |
| Topological Polar Surface Area | 86.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1759 |
| Monoisotopic Mass | 522.1759 |
| Heavy Atoms | 36 |
| Complexity | 1431.0045 |
Chemical Identifiers
| CAS Number | 799802-61-2 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC(=O)NC5=CC=C(C=C5)OC |
Product Overview
AC1LXRT5 (CAS 799802-61-2), with molecular formula C27H30N4O3S2 and molecular weight 522.1759 g/mol. IUPAC: 2-[[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-hexaen-13-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
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