2-{[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V005-0123 |
| Compound Name: | 2-{[4-(2-ethoxybenzoyl)piperazin-1-yl]methyl}-5-{[4-(methylsulfanyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C27 H30 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCOc1ccccc1C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4427 |
| logD: | 3.4423 |
| logSw: | -3.7877 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.549 |
| InChI Key: | GUAGUONTBQNIRH-UHFFFAOYSA-N |