4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[(pyridin-3-yl)methyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[(pyridin-3-yl)methyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[(pyridin-3-yl)methyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 6174-0115 |
| Compound Name: | 4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[(pyridin-3-yl)methyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1Cc1cccnc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3808 |
| logD: | -1.226 |
| logSw: | -2.0717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.036 |
| InChI Key: | DTAPSFPDOOIIOV-UHFFFAOYSA-N |