2-methoxy-4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-fluorobenzoate
Chemical Structure Depiction of
2-methoxy-4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-fluorobenzoate
2-methoxy-4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-fluorobenzoate
Compound characteristics
| Compound ID: | 3229-2249 |
| Compound Name: | 2-methoxy-4-{[1-(3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenyl 4-fluorobenzoate |
| Molecular Weight: | 474.44 |
| Molecular Formula: | C26 H19 F N2 O6 |
| Smiles: | Cc1cccc(c1)N1C(C(=C\c2ccc(c(c2)OC)OC(c2ccc(cc2)F)=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9778 |
| logD: | 3.9013 |
| logSw: | -4.24 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.486 |
| InChI Key: | OTFRQSQQMOVVTL-UHFFFAOYSA-N |