methyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4489-3206 |
| Compound Name: | methyl 4-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | COC(c1ccc(cc1)c1ccc(C=C2C(NC(NC2=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1629 |
| logD: | 1.8051 |
| logSw: | -2.816 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.387 |
| InChI Key: | BZSPDTUIQFJGJO-UHFFFAOYSA-N |