3-{[(2-fluorophenyl)methyl]sulfanyl}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}propan-1-one
3-{[(2-fluorophenyl)methyl]sulfanyl}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | K786-7047 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 462.58 |
| Molecular Formula: | C24 H31 F N2 O4 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CCSCc2ccccc2F)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4547 |
| logD: | 3.0968 |
| logSw: | -3.6036 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.964 |
| InChI Key: | SAFIHGLNAVUFDV-UHFFFAOYSA-N |