4-(2-benzylidenehydrazinecarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-(2-benzylidenehydrazinecarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
4-(2-benzylidenehydrazinecarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0880-0191 |
| Compound Name: | 4-(2-benzylidenehydrazinecarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C22 H20 N3 O3 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C(C[n+]1ccc(cc1)C(N/N=C\c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0327 |
| logD: | 3.0265 |
| logSw: | -3.3964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.138 |
| InChI Key: | TYDWLNLVRXUBOZ-UHFFFAOYSA-O |