AC1LXEO1
8-butyl-4,4-dimethyl-N-(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-amine
Also Known As: Oprea1_192528|Oprea1_275263|AL-281/41807960|5-butyl-N-isobutyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine|8-Butyl-4,4-dimethyl-N-(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-amine|N-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N-isobutylamine|5-butyl-2,2-dimethyl-N-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
| Molecular Formula | C22H30N4OS |
|---|---|
| Molecular Weight | 398.21402 g/mol |
| LogP | 5.5013 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.21402 |
| Monoisotopic Mass | 398.21402 |
| Heavy Atoms | 28 |
| Complexity | 1008.84827 |
Chemical Identifiers
| CAS Number | 372175-06-9 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCC(C)C |
Product Overview
AC1LXEO1 (CAS 372175-06-9), with molecular formula C22H30N4OS and molecular weight 398.21402 g/mol. IUPAC: 8-butyl-4,4-dimethyl-N-(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-amine.
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