AC1N41JN
methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate
Also Known As: (Z)-methyl 2-((2-(1,3-dioxoisoindolin-2-yl)acetyl)imino)-3-(prop-2-yn-1-yl)-2,3-dihydrobenzo[d]thiazole-6-carboxylate|F1365-2040|methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate|methyl (2Z)-2-{[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]imino}-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazole-6-carboxylate|Methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-benzothiazole-6-carboxylate
| Molecular Formula | C22H15N3O5S |
|---|---|
| Molecular Weight | 433.07324 g/mol |
| LogP | 1.8461 |
| Topological Polar Surface Area | 98.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.07324 |
| Monoisotopic Mass | 433.07324 |
| Heavy Atoms | 31 |
| Complexity | 1340.7795 |
Chemical Identifiers
| CAS Number | 942011-77-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)S2)CC#C |
Product Overview
AC1N41JN (CAS 942011-77-0), with molecular formula C22H15N3O5S and molecular weight 433.07324 g/mol. IUPAC: methyl 2-[2-(1,3-dioxoisoindol-2-yl)acetyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate.