N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | C311-1024 |
| Compound Name: | N-[(1-ethylpyrrolidin-2-yl)methyl]-2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C24 H26 F N3 O3 |
| Smiles: | [H]N(CC1CCCN1CC)C(CN1C(/C(=C\c2ccc(cc2)F)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9274 |
| logD: | 1.9441 |
| logSw: | -3.4776 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.411 |
| InChI Key: | ADIQCXUDMWODBV-LJQANCHMSA-N |