4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid
Compound characteristics
| Compound ID: | K783-5939 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)benzoic acid |
| Molecular Weight: | 405.84 |
| Molecular Formula: | C23 H16 Cl N O4 |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(/C(=C/c2ccc(cc2)C(O)=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4575 |
| logD: | 1.8507 |
| logSw: | -5.9643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.441 |
| InChI Key: | YEOWNJZBLACDIF-UHFFFAOYSA-N |