4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[(oxolan-2-yl)methyl]benzamide
4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K788-6837 |
| Compound Name: | 4-({4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C28 H25 Cl N2 O4 |
| Smiles: | C1CC(CNC(c2ccc(/C=C3/C(N(Cc4ccc(cc4)[Cl])c4ccccc4O3)=O)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6568 |
| logD: | 4.6568 |
| logSw: | -5.2801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.1 |
| InChI Key: | MKECMCSOOKSZSA-HSZRJFAPSA-N |