4-[(4-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
4-[(4-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 3972-1081 |
| Compound Name: | 4-[(4-{[1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid |
| Molecular Weight: | 500.51 |
| Molecular Formula: | C28 H24 N2 O7 |
| Smiles: | Cc1cccc(c1C)N1C(C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3485 |
| logD: | 1.377 |
| logSw: | -4.4944 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.443 |
| InChI Key: | IOCYAEVHWDNPRA-UHFFFAOYSA-N |