methyl 4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoate
methyl 4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoate
Compound characteristics
| Compound ID: | K783-5709 |
| Compound Name: | methyl 4-({4-[(3-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C24 H18 F N O4 |
| Smiles: | COC(c1ccc(\C=C2/C(N(Cc3cccc(c3)F)c3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2274 |
| logD: | 5.2274 |
| logSw: | -5.1507 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.207 |
| InChI Key: | KDGVNSQZMKGDNH-UHFFFAOYSA-N |