AC1MQTRW
6-hexylsulfanyl-14-(2-methylpropyl)-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene
Also Known As: 3-(hexylsulfanyl)-11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline|3-(hexylthio)-11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H31N5S2 |
|---|---|
| Molecular Weight | 453.2021 g/mol |
| LogP | 6.6369 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.2021 |
| Monoisotopic Mass | 453.2021 |
| Heavy Atoms | 31 |
| Complexity | 1223.6086 |
Chemical Identifiers
| CAS Number | 369403-71-4 |
|---|---|
| SMILES | CCCCCCSC1=NN=C2N1C=NC3=C2SC4=C3C5=C(CCCC5)C(=N4)CC(C)C |
Product Overview
AC1MQTRW (CAS 369403-71-4), with molecular formula C24H31N5S2 and molecular weight 453.2021 g/mol. IUPAC: 6-hexylsulfanyl-14-(2-methylpropyl)-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaene.
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