propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1183 |
| Compound Name: | propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | CCCOC(c1ccc(cc1)OC1=COc2c(ccc(c2CN2CCN(C)CC2)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6365 |
| logD: | 2.8376 |
| logSw: | -3.5122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.059 |
| InChI Key: | YZBMOLWVWYHQKQ-UHFFFAOYSA-N |