7-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethoxy}spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
Chemical Structure Depiction of
7-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethoxy}spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
7-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethoxy}spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one
Compound characteristics
| Compound ID: | Y040-5297 |
| Compound Name: | 7-{2-[4-(methanesulfonyl)piperazin-1-yl]-2-oxoethoxy}spiro[[1]benzopyran-2,1'-cyclohexan]-4(3H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C21 H28 N2 O6 S |
| Smiles: | CS(N1CCN(CC1)C(COc1ccc2C(CC3(CCCCC3)Oc2c1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.347 |
| logD: | 1.347 |
| logSw: | -2.3647 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.125 |
| InChI Key: | YEWPKAFVJPWDOO-UHFFFAOYSA-N |