CBMicro_038416
3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one
Also Known As: CBMicro_038416|Oprea1_110930|Oprea1_830136|BIM-0038489.P001|AE-641/13212085|SR-01000427663-1|3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4H-chromen-4-one|3-(2,4-dichlorophenyl)-7-hydroxy-8-((4-methylpiperazin-1-yl)methyl)-4H-chromen-4-one|3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methyl-1-piperazinyl)methyl]-4H-chromen-4-one|3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one|3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazinyl)methyl]chromen-4-one|3-(2,4-dichlorophenyl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate
| Molecular Formula | C21H20Cl2N2O3 |
|---|---|
| Molecular Weight | 418.08508 g/mol |
| LogP | 4.2198 |
| Topological Polar Surface Area | 56.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.08508 |
| Monoisotopic Mass | 418.08508 |
| Heavy Atoms | 28 |
| Complexity | 1088.9363 |
Chemical Identifiers
| CAS Number | 302575-47-9 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=C(C=C(C=C4)Cl)Cl)O |
Product Overview
CBMicro_038416 (CAS 302575-47-9), with molecular formula C21H20Cl2N2O3 and molecular weight 418.08508 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one.
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