2-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Chemical Structure Depiction of
2-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
2-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid
Compound characteristics
| Compound ID: | Y501-6837 |
| Compound Name: | 2-(5-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoic acid |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C23 H16 N2 O7 |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c3ccccc3C(O)=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8244 |
| logD: | -1.2284 |
| logSw: | -3.6632 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.912 |
| InChI Key: | UDVQTQWYQCNGTG-UHFFFAOYSA-N |