4-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0073 |
| Compound Name: | 4-{[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C25 H28 N2 O6 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc(c(c1)OC)OC)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.0405 |
| logD: | 2.0398 |
| logSw: | -3.0254 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.219 |
| InChI Key: | QIDZOKIWUFYKKW-UHFFFAOYSA-N |