AC1LUE1H
4,4-dimethyl-13-(3-methylbutylsulfanyl)-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-hexaene
Also Known As: Oprea1_354971|2,2-dimethyl-8-[(3-methylbutyl)sulfanyl]-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine|8-(isopentylthio)-5-isopropyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C22H29N3OS2 |
|---|---|
| Molecular Weight | 415.1752 g/mol |
| LogP | 6.3524 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.1752 |
| Monoisotopic Mass | 415.1752 |
| Heavy Atoms | 28 |
| Complexity | 1023.70703 |
Chemical Identifiers
| CAS Number | 672897-80-2 |
|---|---|
| SMILES | CC(C)CCSC1=NC=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C(C)C |
Product Overview
AC1LUE1H (CAS 672897-80-2), with molecular formula C22H29N3OS2 and molecular weight 415.1752 g/mol. IUPAC: 4,4-dimethyl-13-(3-methylbutylsulfanyl)-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-hexaene.
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