2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | K788-5208 |
| Compound Name: | 2-{2-[(4-fluorophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}-N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C31 H33 F N4 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CN2C(/C(=C\c3ccc(cc3)F)Oc3ccccc23)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8984 |
| logD: | 3.3123 |
| logSw: | -4.0957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.132 |
| InChI Key: | UAJYKDCEOLQXOE-UHFFFAOYSA-N |