C21H20N4O3S2
5-(1,3-benzodioxol-5-ylmethylsulfanyl)-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-10-isopropyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-10-(propan-2-yl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C21H20N4O3S2 |
|---|---|
| Molecular Weight | 440.0977 g/mol |
| LogP | 4.4573 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0977 |
| Monoisotopic Mass | 440.0977 |
| Heavy Atoms | 30 |
| Complexity | 1266.3391 |
Chemical Identifiers
| CAS Number | 840477-35-2 |
|---|---|
| SMILES | CC(C)C1CC2=C(CO1)SC3=C2C4=NN=C(N4C=N3)SCC5=CC6=C(C=C5)OCO6 |
Product Overview
C21H20N4O3S2 (CAS 840477-35-2), with molecular formula C21H20N4O3S2 and molecular weight 440.0977 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylsulfanyl)-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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