4-{[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4207-0076 |
| Compound Name: | 4-{[1-(2-fluorophenyl)-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 381.36 |
| Molecular Formula: | C21 H16 F N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1c1ccccc1F)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2688 |
| logD: | -0.338 |
| logSw: | -3.4205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.606 |
| InChI Key: | WXAWKEYJOVYWIO-UHFFFAOYSA-N |