AC1NXPH1
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-5-(3-propoxyphenyl)-1H-pyrrol-2(5H)-one|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione|(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-(3-propoxyphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C32H29N3O6S2 |
|---|---|
| Molecular Weight | 615.1498 g/mol |
| LogP | 6.32512 |
| Topological Polar Surface Area | 111.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 615.1498 |
| Monoisotopic Mass | 615.1498 |
| Heavy Atoms | 43 |
| Complexity | 1701.4359 |
Chemical Identifiers
| CAS Number | 620574-79-0 |
|---|---|
| SMILES | CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C |
Product Overview
AC1NXPH1 (CAS 620574-79-0), with molecular formula C32H29N3O6S2 and molecular weight 615.1498 g/mol. IUPAC: (4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)pyrrolidine-2,3-dione.