N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-6610 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{2-[(2-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C30 H31 F N4 O3 |
| Smiles: | C(CN1CCN(CC1)Cc1ccccc1)NC(CN1C(/C(=C\c2ccccc2F)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4299 |
| logD: | 3.2866 |
| logSw: | -3.7288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.869 |
| InChI Key: | NDNYRPFRISKYPJ-UHFFFAOYSA-N |