4-{[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5567-0214 |
| Compound Name: | 4-{[4-(methoxycarbonyl)-1,5-dimethyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 301.3 |
| Molecular Formula: | C16 H15 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1C)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8541 |
| logD: | -1.7528 |
| logSw: | -2.0437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.556 |
| InChI Key: | BAIMRTHCUUFMIM-UHFFFAOYSA-N |