4-[(4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid
4-[(4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3970-2165 |
| Compound Name: | 4-[(4-{[1-(4-tert-butylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-ethoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 542.59 |
| Molecular Formula: | C31 H30 N2 O7 |
| Smiles: | CCOc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)C(C)(C)C)=O)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3172 |
| logD: | 2.3457 |
| logSw: | -5.2617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.323 |
| InChI Key: | SFQFWEVQLUQWCE-UHFFFAOYSA-N |