4-{[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Chemical Structure Depiction of
4-{[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
4-{[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Compound characteristics
| Compound ID: | 4207-0047 |
| Compound Name: | 4-{[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C23 H21 N O6 |
| Smiles: | CCOC(C1/C(=C/c2ccc(cc2)C(O)=O)C(N(C=1C)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 0.1661 |
| logSw: | -4.1172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.031 |
| InChI Key: | NPFCTTQNSVVUBA-UHFFFAOYSA-N |