ethyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
ethyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
Compound ID: | 2237-1767 |
Compound Name: | ethyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
Molecular Weight: | 354.32 |
Molecular Formula: | C18 H14 N2 O6 |
Smiles: | CCOC(c1ccc(cc1)c1ccc(C=C2C(NC(NC2=O)=O)=O)o1)=O |
Stereo: | ACHIRAL |
logP: | 2.6736 |
logD: | 2.3157 |
logSw: | -2.936 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.967 |
InChI Key: | FLVACXWREHOXCD-UHFFFAOYSA-N |