4-[(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Chemical Structure Depiction of
4-[(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
4-[(2-methoxy-4-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Compound characteristics
| Compound ID: | 2897-1469 |
| Compound Name: | 4-[(2-methoxy-4-{[1-(4-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: | Cc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)C(O)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8005 |
| logD: | 0.829 |
| logSw: | -4.0674 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.743 |
| InChI Key: | CGPBDIKUCQOWOH-UHFFFAOYSA-N |