2-chloro-5-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Chemical Structure Depiction of
2-chloro-5-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
2-chloro-5-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid
Compound characteristics
| Compound ID: | 8009-0817 |
| Compound Name: | 2-chloro-5-{5-[2-cyano-3-(3,4-dimethylanilino)-3-oxoprop-1-en-1-yl]furan-2-yl}benzoic acid |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C23 H17 Cl N2 O4 |
| Smiles: | Cc1ccc(cc1C)NC(C(=C\c1ccc(c2ccc(c(c2)C(O)=O)[Cl])o1)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9378 |
| logD: | 1.5075 |
| logSw: | -5.7463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.364 |
| InChI Key: | YCDWMHBQBXKUHW-UHFFFAOYSA-N |