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 |