3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-fluorobenzoate
Chemical Structure Depiction of
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-fluorobenzoate
3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-fluorobenzoate
Compound characteristics
| Compound ID: | Y510-2106 |
| Compound Name: | 3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 3-fluorobenzoate |
| Molecular Weight: | 354.29 |
| Molecular Formula: | C18 H11 F N2 O5 |
| Smiles: | C(=C1C(NC(NC1=O)=O)=O)c1cccc(c1)OC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8736 |
| logD: | 1.5263 |
| logSw: | -2.483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.021 |
| InChI Key: | PBTJBCOKLKVSGC-UHFFFAOYSA-N |