(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-phenylpiperazin-1-yl)methanone
Chemical Structure Depiction of
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-phenylpiperazin-1-yl)methanone
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-phenylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | K672-0070 |
| Compound Name: | (4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)(4-phenylpiperazin-1-yl)methanone |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C24 H22 F N3 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7965 |
| logD: | 4.7965 |
| logSw: | -5.0073 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.956 |
| InChI Key: | QZUCJTFYGMZIHD-UHFFFAOYSA-N |