4-({2-methoxy-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-methoxy-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-methoxy-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2897-1468 |
| Compound Name: | 4-({2-methoxy-4-[(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 472.45 |
| Molecular Formula: | C26 H20 N2 O7 |
| Smiles: | COc1cc(\C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)ccc1OCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2556 |
| logD: | 0.2841 |
| logSw: | -3.5586 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.743 |
| InChI Key: | UHXNRXFZLXNQFI-UHFFFAOYSA-N |