propyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
propyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
propyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1257 |
| Compound Name: | propyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C26 H30 N2 O6 |
| Smiles: | CCCOC(c1ccc(cc1)OC1=C(C)Oc2c(ccc(c2CN2CCN(C)CC2)O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0528 |
| logD: | 3.2539 |
| logSw: | -3.7852 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.152 |
| InChI Key: | UIBUWSHSNNMVSZ-UHFFFAOYSA-N |