N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-6383 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 507.34 |
| Molecular Formula: | C25 H19 Br N2 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C\c2ccccc2[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4728 |
| logD: | 4.4728 |
| logSw: | -4.5335 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.62 |
| InChI Key: | BAFXVZZAGDDITK-UHFFFAOYSA-N |