7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
Chemical Structure Depiction of
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
Compound characteristics
| Compound ID: | IB07-2353 |
| Compound Name: | 7-[2-(4-acetylpiperazin-1-yl)-2-oxoethoxy]spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one |
| Molecular Weight: | 400.47 |
| Molecular Formula: | C22 H28 N2 O5 |
| Smiles: | CC(N1CCN(CC1)C(COc1ccc2C(CC3(CCCCC3)Oc2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.61 |
| logD: | 1.61 |
| logSw: | -2.6 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 129.13 |
| InChI Key: | KRDBEQDCHVUJGM-UHFFFAOYSA-N |