AC1NXPHD
(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-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: 5-(3-(benzyloxy)phenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-1-(5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)-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-phenylmethoxyphenyl)pyrrolidine-2,3-dione|(4E)-5-[3-(benzyloxy)phenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
| Molecular Formula | C36H29N3O6S2 |
|---|---|
| Molecular Weight | 663.1498 g/mol |
| LogP | 7.11532 |
| Topological Polar Surface Area | 111.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 663.1498 |
| Monoisotopic Mass | 663.1498 |
| Heavy Atoms | 47 |
| Complexity | 1976.5598 |
Chemical Identifiers
| CAS Number | 620574-99-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C(/C(=C(/C4=CC5=C(C=C4)OCCO5)\O)/C(=O)C3=O)C6=CC(=CC=C6)OCC7=CC=CC=C7 |
Product Overview
AC1NXPHD (CAS 620574-99-4), with molecular formula C36H29N3O6S2 and molecular weight 663.1498 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-phenylmethoxyphenyl)pyrrolidine-2,3-dione.