4-({2-methoxy-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-methoxy-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
4-({2-methoxy-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
Compound characteristics
| Compound ID: | 2897-1467 |
| Compound Name: | 4-({2-methoxy-4-[(1-methyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | CN1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3348 |
| logD: | -0.6367 |
| logSw: | -2.8871 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.392 |
| InChI Key: | KQXLQLWCZSEEND-UHFFFAOYSA-N |