2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-7462 |
| Compound Name: | 2-{[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 508.59 |
| Molecular Formula: | C27 H28 N2 O6 S |
| Salt: | not_available |
| Smiles: | CSc1ccc(COC2=COC(CN3CCN(CC3)C(C3COc4ccccc4O3)=O)=CC2=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2418 |
| logD: | 3.2408 |
| logSw: | -3.4988 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.776 |
| InChI Key: | IMVNXANUVGTCMX-SANMLTNESA-N |