4-(ethoxycarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-(ethoxycarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
4-(ethoxycarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0168-0310 |
| Compound Name: | 4-(ethoxycarbonyl)-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 380.24 |
| Molecular Formula: | C17 H18 N O4 |
| Salt: | Br- |
| Smiles: | CCOC(c1cc[n+](CC(c2ccc(cc2)OC)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8554 |
| logD: | 2.8554 |
| logSw: | -3.0624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.575 |
| InChI Key: | CTPBMKXVWDJSDH-UHFFFAOYSA-N |