2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C311-0216 |
| Compound Name: | 2-{2-[(3-chlorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 424.9 |
| Molecular Formula: | C22 H17 Cl N2 O3 S |
| Smiles: | C(c1cccs1)NC(CN1C(/C(=C\c2cccc(c2)[Cl])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 4.5121 |
| logSw: | -4.7322 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.523 |
| InChI Key: | BXQWBIUFUKPOQN-UHFFFAOYSA-N |