methyl 4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
methyl 4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate
Compound characteristics
| Compound ID: | 3970-2154 |
| Compound Name: | methyl 4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}benzoate |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C20 H16 N2 O6 |
| Smiles: | COC(c1ccc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4625 |
| logD: | 2.1595 |
| logSw: | -2.8877 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.108 |
| InChI Key: | TZBGSCSRUONRHV-UHFFFAOYSA-N |