AC1N9U7Q
14-(2-methylpropyl)-6-prop-2-enylsulfanyl-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: 11-(2-methylpropyl)-3-(prop-2-en-1-ylsulfanyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline|3-(allylthio)-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 | C21H23N5S2 |
|---|---|
| Molecular Weight | 409.1395 g/mol |
| LogP | 5.2426 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.1395 |
| Monoisotopic Mass | 409.1395 |
| Heavy Atoms | 28 |
| Complexity | 1204.3909 |
Chemical Identifiers
| CAS Number | 497232-40-3 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC=C |
Product Overview
AC1N9U7Q (CAS 497232-40-3), with molecular formula C21H23N5S2 and molecular weight 409.1395 g/mol. IUPAC: 14-(2-methylpropyl)-6-prop-2-enylsulfanyl-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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