4-{2,5-dimethyl-3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
Chemical Structure Depiction of
4-{2,5-dimethyl-3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
4-{2,5-dimethyl-3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}benzoic acid
Compound characteristics
| Compound ID: | 8241-0087 |
| Compound Name: | 4-{2,5-dimethyl-3-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-pyrrol-1-yl}benzoic acid |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | Cc1c(c(/C=C/c2cc(C)n(c3ccc(cc3)C(O)=O)c2C)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7708 |
| logD: | 0.8846 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.607 |
| InChI Key: | CMMPQUIJUMCSBU-UHFFFAOYSA-N |