methyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
methyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | Y041-1225 |
| Compound Name: | methyl 4-({7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-1-benzopyran-3-yl}oxy)benzoate |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C24 H26 N2 O6 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(C)CC3)c2O1)O)=O)Oc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0304 |
| logD: | 2.2315 |
| logSw: | -3.1647 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.278 |
| InChI Key: | MCJLNQAFMBCOOS-UHFFFAOYSA-N |