4-[2-(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetamido]benzoic acid
Chemical Structure Depiction of
4-[2-(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetamido]benzoic acid
4-[2-(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetamido]benzoic acid
Compound characteristics
| Compound ID: | Y508-5289 |
| Compound Name: | 4-[2-(4-{[1-(4-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-2-methoxyphenoxy)acetamido]benzoic acid |
| Molecular Weight: | 549.92 |
| Molecular Formula: | C27 H20 Cl N3 O8 |
| Smiles: | COc1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)[Cl])=O)=O)ccc1OCC(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4229 |
| logD: | 1.0277 |
| logSw: | -4.1239 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.893 |
| InChI Key: | KBUQEGPSUFOQKR-UHFFFAOYSA-N |