3-(4-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
Chemical Structure Depiction of
3-(4-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
3-(4-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione
Compound characteristics
| Compound ID: | Y041-4351 |
| Compound Name: | 3-(4-{[(3,4,8-trimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}piperazin-1-yl)-1lambda~6~-thiolane-1,1-dione |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CC1=C(C)c2ccc(c(C)c2OC1=O)OCC(N1CCN(CC1)C1CCS(C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7877 |
| logD: | 0.7876 |
| logSw: | -2.2782 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.082 |
| InChI Key: | ULDCYMDVSBPHPK-QGZVFWFLSA-N |