2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone
Modify Date: 2023-01-15 08:33:00
![2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone Structure](https://image.chemsrc.com/caspic/154/6072-50-0.png)
2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone structure
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Common Name | 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone | ||
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| CAS Number | 6072-50-0 | Molecular Weight | 864.36300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C48H38ClN5O7S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[5-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-methylpyrazol-3-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-4,6,9a,10,10a,10b-hexahydro-3aH-isoindolo[5,6-e]isoindole-1,3,7,9-tetrone |
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| Molecular Formula | C48H38ClN5O7S |
|---|---|
| Molecular Weight | 864.36300 |
| Exact Mass | 863.21800 |
| PSA | 176.31000 |
| LogP | 9.35130 |
| InChIKey | GQPHRYWGJBMIJR-UHFFFAOYSA-N |
| SMILES | COc1ccc(C2C3=CCC4C(=O)N(c5ccc(-c6nc7ccccc7o6)cc5)C(=O)C4C3CC3C(=O)N(c4cc(-c5sc6ccc(Cl)cc6c5C)nn4C)C(=O)C32C)c(O)c1 |