4-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
4-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | 5618-4171 |
| Compound Name: | 4-({1-[2-(cyclohex-1-en-1-yl)ethyl]-4-(methoxycarbonyl)-5-methyl-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene}methyl)benzoic acid |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C23 H25 N O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)C(O)=O)C(N1CCC1CCCCC=1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0491 |
| logD: | 0.4423 |
| logSw: | -4.1466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.689 |
| InChI Key: | NOVSSPYGFPZSIQ-UHFFFAOYSA-N |