AC1M0TFV
3-[(4-chlorophenyl)methylsulfanyl]-9,15,15-trimethyl-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: 7-((4-chlorobenzyl)thio)-2,12,12-trimethyl-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|7-[(4-chlorobenzyl)sulfanyl]-2,12,12-trimethyl-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 | C21H19ClN6OS2 |
|---|---|
| Molecular Weight | 470.07504 g/mol |
| LogP | 5.09212 |
| Topological Polar Surface Area | 69.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.07504 |
| Monoisotopic Mass | 470.07504 |
| Heavy Atoms | 31 |
| Complexity | 1466.894 |
Chemical Identifiers
| CAS Number | 850802-75-4 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)Cl)SC6=C3CC(OC6)(C)C |
Product Overview
AC1M0TFV (CAS 850802-75-4), with molecular formula C21H19ClN6OS2 and molecular weight 470.07504 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-9,15,15-trimethyl-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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