4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[4-(propan-2-yl)phenyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[4-(propan-2-yl)phenyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[4-(propan-2-yl)phenyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 4257-1802 |
| Compound Name: | 4-({4-(methoxycarbonyl)-5-methyl-2-oxo-1-[4-(propan-2-yl)phenyl]-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C24 H23 N O5 |
| Smiles: | CC(C)c1ccc(cc1)N1C(C)=C(/C(=C/c2ccc(cc2)C(O)=O)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5565 |
| logD: | 0.9496 |
| logSw: | -4.3816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.907 |
| InChI Key: | VTVWHGNLVTYKCW-UHFFFAOYSA-N |