(5-hydroxy-4-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-benzofuran-3-yl)(3-methoxyphenyl)methanone
Chemical Structure Depiction of
(5-hydroxy-4-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-benzofuran-3-yl)(3-methoxyphenyl)methanone
(5-hydroxy-4-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-benzofuran-3-yl)(3-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | IB07-6435 |
| Compound Name: | (5-hydroxy-4-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-1-benzofuran-3-yl)(3-methoxyphenyl)methanone |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C22 H24 N2 O6 S |
| Smiles: | COc1cccc(c1)C(c1coc2ccc(c(CN3CCN(CC3)S(C)(=O)=O)c12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.45 |
| logD: | 2.44 |
| logSw: | -2.69 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.05 |
| InChI Key: | XAAUNVGCWCKFKJ-UHFFFAOYSA-N |