N-[3-(2-ethylpiperidin-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-5005 |
| Compound Name: | N-[3-(2-ethylpiperidin-1-yl)propyl]-2-{2-[(3-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C27 H32 F N3 O3 |
| Smiles: | CCC1CCCCN1CCCNC(CN1C(/C(=C\c2cccc(c2)F)Oc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8791 |
| logD: | 0.9541 |
| logSw: | -3.8966 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.14 |
| InChI Key: | POLGTGNIOQIANM-QFIPXVFZSA-N |