3-[(4-{[1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(4-{[1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
3-[(4-{[1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3699-0047 |
| Compound Name: | 3-[(4-{[1-(3-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C28 H24 N2 O8 |
| Smiles: | CCOc1cccc(c1)N1C(C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9676 |
| logD: | 1.0701 |
| logSw: | -4.1977 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.867 |
| InChI Key: | QCZLNUHMHQBOSB-UHFFFAOYSA-N |