propyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
propyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
propyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1184 |
| Compound Name: | propyl 4-({8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C26 H30 N2 O6 |
| Smiles: | CCCOC(c1ccc(cc1)OC1=COc2c(ccc(c2CN2CCN(CC)CC2)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9812 |
| logD: | 3.0495 |
| logSw: | -3.7128 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.119 |
| InChI Key: | KVYDWUWDDQMZGA-UHFFFAOYSA-N |