4-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
4-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3144 |
| Compound Name: | 4-{[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.625 |
| logD: | 5.6058 |
| logSw: | -5.5303 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.192 |
| InChI Key: | FZRZVMUPLLVTLQ-UHFFFAOYSA-N |