AC1NXPG1
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: 4-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-3-hydroxy-5-(4-isopropylphenyl)-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-(4-propan-2-ylphenyl)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-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
| Molecular Formula | C32H29N3O5S2 |
|---|---|
| Molecular Weight | 599.15485 g/mol |
| LogP | 6.65972 |
| Topological Polar Surface Area | 101.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 599.15485 |
| Monoisotopic Mass | 599.15485 |
| Heavy Atoms | 42 |
| Complexity | 1679.234 |
Chemical Identifiers
| CAS Number | 620574-36-9 |
|---|---|
| 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=C(C=C6)C(C)C |
Product Overview
AC1NXPG1 (CAS 620574-36-9), with molecular formula C32H29N3O5S2 and molecular weight 599.15485 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-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione.