2-{2-ethoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-ethoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one
2-{2-ethoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-1216 |
| Compound Name: | 2-{2-ethoxy-4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C20 H23 N3 O6 |
| Smiles: | CCOc1cc(/C=C/c2c(c(C)no2)[N+]([O-])=O)ccc1OCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6063 |
| logD: | 2.6063 |
| logSw: | -2.864 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.816 |
| InChI Key: | SFFYGKQPCAYPFO-UHFFFAOYSA-N |