AC1MRDPA
3-[(4-chlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((4-chlorobenzyl)thio)-6-ethyl-6-methyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|4-[(4-chlorobenzyl)sulfanyl]-6-ethyl-6-methyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C22H25ClN2OS3 |
|---|---|
| Molecular Weight | 464.08176 g/mol |
| LogP | 7.3805 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.08176 |
| Monoisotopic Mass | 464.08176 |
| Heavy Atoms | 29 |
| Complexity | 1005.4552 |
Chemical Identifiers
| CAS Number | 843633-77-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)CC)C(=N1)SCC4=CC=C(C=C4)Cl |
Product Overview
AC1MRDPA (CAS 843633-77-2), with molecular formula C22H25ClN2OS3 and molecular weight 464.08176 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-12-ethyl-12-methyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
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