methyl (8-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Chemical Structure Depiction of
methyl (8-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
methyl (8-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate
Compound characteristics
| Compound ID: | Y043-3582 |
| Compound Name: | methyl (8-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetate |
| Molecular Weight: | 456.93 |
| Molecular Formula: | C24 H25 Cl N2 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2CN1CCN(CC1)c1ccc(cc1)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.9431 |
| logD: | 3.9182 |
| logSw: | -4.1248 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.964 |
| InChI Key: | IQUXWFDLSOWDGW-UHFFFAOYSA-N |