Agn-PC-0lov1N
2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-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
Also Known As: AGN-PC-0LOV1N|DAP1_019311|2-[4-(1,3-Benzoxazol-2-yl)phenyl]-8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methyl-1H-pyrazol-5-yl]-6-(2-hydroxy-4-methoxyphenyl)-6a-methyl-3a,4,6,6a,9a,10,10a,10b-octahydroisoindolo[5,6-e]isoindole-1,3,7,9(2H,8H)-tetrone
| Molecular Formula | C48H38ClN5O7S |
|---|---|
| Molecular Weight | 863.218 g/mol |
| LogP | 9.22132 |
| Topological Polar Surface Area | 148.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 863.218 |
| Monoisotopic Mass | 863.218 |
| Heavy Atoms | 62 |
| Complexity | 3097.7703 |
Chemical Identifiers
| CAS Number | 6072-50-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)C5CC6C7C(CC=C6C(C5(C4=O)C)C8=C(C=C(C=C8)OC)O)C(=O)N(C7=O)C9=CC=C(C=C9)C1=NC2=CC=CC=C2O1)C |
Product Overview
Agn-PC-0lov1N (CAS 6072-50-0), with molecular formula C48H38ClN5O7S and molecular weight 863.218 g/mol. IUPAC: 2-[4-(1,3-benzoxazol-2-yl)phenyl]-8-[3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-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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