2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C700-1003 |
| Compound Name: | 2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C29 H38 N2 O4 S |
| Smiles: | CCOc1ccc2c(c1)C(CC1(CCCCC1)O2)SCC(N1CCN(CC1)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5999 |
| logD: | 5.5999 |
| logSw: | -5.237 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.023 |
| InChI Key: | CGBYTTASKJJBTG-MHZLTWQESA-N |