AC1N8K0D
2-[(4,4-dimethyl-15-methylsulfanyl-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)-ethylamino]ethanol
Also Known As: 2-(ethyl(5-isopropyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethanol|2-{[2,2-dimethyl-10-(methylsulfanyl)-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](ethyl)amino}ethanol
| Molecular Formula | C22H30N4O2S2 |
|---|---|
| Molecular Weight | 446.18103 g/mol |
| LogP | 4.7547 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18103 |
| Monoisotopic Mass | 446.18103 |
| Heavy Atoms | 30 |
| Complexity | 1094.1064 |
Chemical Identifiers
| CAS Number | 845666-76-4 |
|---|---|
| SMILES | CCN(CCO)C1=NC(=NC2=C1SC3=C2C4=C(COC(C4)(C)C)C(=N3)C(C)C)SC |
Product Overview
AC1N8K0D (CAS 845666-76-4), with molecular formula C22H30N4O2S2 and molecular weight 446.18103 g/mol. IUPAC: 2-[(4,4-dimethyl-15-methylsulfanyl-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)-ethylamino]ethanol.