4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D154-0029 |
| Compound Name: | 4-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-6-ethoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 412.92 |
| Molecular Formula: | C23 H25 Cl N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)c1cc(ccc1C)[Cl])=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.6269 |
| logD: | 4.6011 |
| logSw: | -4.728 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.461 |
| InChI Key: | YVBMAMNYRFUWIS-UHFFFAOYSA-N |