4-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0114 |
| Compound Name: | 4-{[4-(4-chlorobenzoyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 426.9 |
| Molecular Formula: | C23 H23 Cl N2 O4 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)C(c1ccc(cc1)[Cl])=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.095 |
| logD: | 3.0944 |
| logSw: | -3.6649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.958 |
| InChI Key: | KLWFZMJGBFUAOT-UHFFFAOYSA-N |