3-[(2-methoxy-4-{[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
3-[(2-methoxy-4-{[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
3-[(2-methoxy-4-{[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3699-0782 |
| Compound Name: | 3-[(2-methoxy-4-{[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C27 H22 N2 O7 |
| Smiles: | Cc1ccccc1N1C(C(=C\c2ccc(c(c2)OC)OCc2cccc(c2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8444 |
| logD: | 0.9469 |
| logSw: | -4.095 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.443 |
| InChI Key: | PKEQQFQJLNYMLM-UHFFFAOYSA-N |