AC1M0FBS
1-(4-chlorophenyl)-2-[(14,14-dimethyl-7-propylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-((10,10-dimethyl-5-(propylthio)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone|1-(4-chlorophenyl)-2-{[10,10-dimethyl-5-(propylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}ethanone
| Molecular Formula | C23H23ClN4O2S3 |
|---|---|
| Molecular Weight | 518.06714 g/mol |
| LogP | 6.3208 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.06714 |
| Monoisotopic Mass | 518.06714 |
| Heavy Atoms | 33 |
| Complexity | 1347.7524 |
Chemical Identifiers
| CAS Number | 579446-78-9 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NN=C(N41)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
AC1M0FBS (CAS 579446-78-9), with molecular formula C23H23ClN4O2S3 and molecular weight 518.06714 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(14,14-dimethyl-7-propylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone.
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