propyl 4-[(7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-1-benzopyran-3-yl)oxy]benzoate
Chemical Structure Depiction of
propyl 4-[(7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-1-benzopyran-3-yl)oxy]benzoate
propyl 4-[(7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-1-benzopyran-3-yl)oxy]benzoate
Compound characteristics
| Compound ID: | Y041-2800 |
| Compound Name: | propyl 4-[(7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-1-benzopyran-3-yl)oxy]benzoate |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C26 H30 N2 O7 |
| Smiles: | CCCOC(c1ccc(cc1)OC1=COc2c(ccc(c2CN2CCN(CC2)CCO)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1782 |
| logD: | 2.6822 |
| logSw: | -3.121 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.029 |
| InChI Key: | XMCYNPIXXXBJJX-UHFFFAOYSA-N |