4-{[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 5641-0616 |
| Compound Name: | 4-{[4-(methoxycarbonyl)-1-(2-methoxyethyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C18 H19 N O6 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1CCOC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.9129 |
| logD: | -1.694 |
| logSw: | -2.1545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.111 |
| InChI Key: | KGZIYQNYFIMAJP-UHFFFAOYSA-N |