ethyl 4-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
ethyl 4-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate
Compound characteristics
Compound ID: | 8009-3069 |
Compound Name: | ethyl 4-(5-{[2,4,6-trioxo-1-(prop-2-en-1-yl)-1,3-diazinan-5-ylidene]methyl}furan-2-yl)benzoate |
Molecular Weight: | 394.38 |
Molecular Formula: | C21 H18 N2 O6 |
Smiles: | CCOC(c1ccc(cc1)c1ccc(/C=C2/C(NC(N(CC=C)C2=O)=O)=O)o1)=O |
Stereo: | ACHIRAL |
logP: | 3.5835 |
logD: | 3.5287 |
logSw: | -3.536 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.576 |
InChI Key: | ZEZIBKVKMLBXNW-UHFFFAOYSA-N |