AC1MQIWM
15,15-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene
Also Known As: 12,12-dimethyl-7-((4-nitrobenzyl)thio)-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine|12,12-dimethyl-7-[(4-nitrobenzyl)sulfanyl]-12,13-dihydro-10H-pyrano[4',3':4,5]thieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine
| Molecular Formula | C20H17N7O3S2 |
|---|---|
| Molecular Weight | 467.08344 g/mol |
| LogP | 4.0385 |
| Topological Polar Surface Area | 112.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.08344 |
| Monoisotopic Mass | 467.08344 |
| Heavy Atoms | 32 |
| Complexity | 1517.6066 |
Chemical Identifiers
| CAS Number | 862485-07-2 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC=NN4C5=NN=C(N35)SCC6=CC=C(C=C6)[N+](=O)[O-])C |
Product Overview
AC1MQIWM (CAS 862485-07-2), with molecular formula C20H17N7O3S2 and molecular weight 467.08344 g/mol. IUPAC: 15,15-dimethyl-3-[(4-nitrophenyl)methylsulfanyl]-16-oxa-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaene.
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