4-(5-{[(5-{[(furan-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazol-4-yl)imino]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
4-(5-{[(5-{[(furan-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazol-4-yl)imino]methyl}furan-2-yl)benzoic acid
4-(5-{[(5-{[(furan-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazol-4-yl)imino]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | Y502-1800 |
| Compound Name: | 4-(5-{[(5-{[(furan-2-yl)methyl]carbamoyl}-1-methyl-1H-pyrazol-4-yl)imino]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H18 N4 O5 |
| Smiles: | Cn1c(C(NCc2ccco2)=O)c(cn1)/N=C/c1ccc(c2ccc(cc2)C(O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.3181 |
| logD: | -0.4097 |
| logSw: | -3.3173 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.324 |
| InChI Key: | YMTHWURKTAPBNL-UHFFFAOYSA-N |