ethyl 4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
ethyl 4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
| Compound ID: | 2368-0495 |
| Compound Name: | ethyl 4-(5-{[1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate |
| Molecular Weight: | 444.44 |
| Molecular Formula: | C25 H20 N2 O6 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C2/C(NC(N(C2=O)c2ccc(C)cc2)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6034 |
| logD: | 4.2907 |
| logSw: | -4.2757 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.714 |
| InChI Key: | JXLRDSMPVCTREQ-UHFFFAOYSA-N |