AC1LXIFA
4,11-dibenzyl-5-prop-2-enylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_182401|AL-281/11335228|2-(allylthio)-3,7-dibenzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-(allylsulfanyl)-3,7-dibenzyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3,7-dibenzyl-2-(prop-2-en-1-ylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C26H25N3OS2 |
|---|---|
| Molecular Weight | 459.1439 g/mol |
| LogP | 5.3427 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.1439 |
| Monoisotopic Mass | 459.1439 |
| Heavy Atoms | 32 |
| Complexity | 1295.6538 |
Chemical Identifiers
| CAS Number | 330179-66-3 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1CC5=CC=CC=C5 |
Product Overview
AC1LXIFA (CAS 330179-66-3), with molecular formula C26H25N3OS2 and molecular weight 459.1439 g/mol. IUPAC: 4,11-dibenzyl-5-prop-2-enylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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