2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-cyclopentylacetamide
Chemical Structure Depiction of
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-cyclopentylacetamide
2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | K788-0565 |
| Compound Name: | 2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-cyclopentylacetamide |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C22 H21 Br N2 O3 |
| Smiles: | C1CCC(C1)NC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5464 |
| logD: | 4.5464 |
| logSw: | -4.5075 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.596 |
| InChI Key: | ZVBKYYUFVJTQMD-UHFFFAOYSA-N |