N-butyl-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-butyl-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-butyl-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C311-1037 |
| Compound Name: | N-butyl-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C21 H21 F N2 O3 |
| Smiles: | CCCCNC(CN1C(/C(=C\c2ccc(cc2)F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6809 |
| logD: | 3.6809 |
| logSw: | -3.9815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.617 |
| InChI Key: | QXXNHGYTBFUCBI-UHFFFAOYSA-N |