2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Chemical Structure Depiction of
2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | C301-0630 |
| Compound Name: | 2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C19 H18 N2 O6 |
| Smiles: | Cc1cc(c(cc1C)[N+]([O-])=O)NC(=C\C(c1cccc(c1)OC)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1228 |
| logD: | 0.0679 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.566 |
| InChI Key: | BXZVAQJMIFJFRQ-UHFFFAOYSA-N |