N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-6853 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-{2-[(3-methoxyphenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 547.05 |
| Molecular Formula: | C30 H31 Cl N4 O4 |
| Smiles: | COc1cccc(/C=C2/C(N(CC(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)c3ccccc3O2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.182 |
| logD: | 4.1031 |
| logSw: | -4.6192 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.132 |
| InChI Key: | HJGNQUYYHPSYCR-UHFFFAOYSA-N |