(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
(4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | K672-0079 |
| Compound Name: | (4-{[(3-fluorophenyl)methyl]sulfanyl}-3-nitrophenyl)[4-(4-methoxyphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C25 H24 F N3 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9004 |
| logD: | 4.9004 |
| logSw: | -4.792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.5 |
| InChI Key: | PMEZMDKRQCNVNA-UHFFFAOYSA-N |