5-[2-(3-bromo-5-ethoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Chemical Structure Depiction of
5-[2-(3-bromo-5-ethoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
5-[2-(3-bromo-5-ethoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Compound characteristics
| Compound ID: | 8018-1222 |
| Compound Name: | 5-[2-(3-bromo-5-ethoxy-4-propoxyphenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole |
| Molecular Weight: | 411.25 |
| Molecular Formula: | C17 H19 Br N2 O5 |
| Smiles: | CCCOc1c(cc(/C=C/c2c(c(C)no2)[N+]([O-])=O)cc1[Br])OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6437 |
| logD: | 4.6437 |
| logSw: | -4.5142 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.335 |
| InChI Key: | PNNVTMPPLNKHSH-UHFFFAOYSA-N |