AC1NDA5S
methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: NCGC00101313-01|SR-01000087200-1|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate|methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C23H16N2O6S |
|---|---|
| Molecular Weight | 448.0729 g/mol |
| LogP | 3.79992 |
| Topological Polar Surface Area | 109.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.0729 |
| Monoisotopic Mass | 448.0729 |
| Heavy Atoms | 32 |
| Complexity | 1453.8707 |
Chemical Identifiers
| CAS Number | 620584-69-2 |
|---|---|
| SMILES | CC1=C(SC(=N1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)O)C(=O)OC |
Product Overview
AC1NDA5S (CAS 620584-69-2), with molecular formula C23H16N2O6S and molecular weight 448.0729 g/mol. IUPAC: methyl 2-[1-(4-hydroxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
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