2-[(3-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
2-[(3-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F389-0623 |
| Compound Name: | 2-[(3-chlorophenyl)methylidene]-6-(4-phenylpiperazine-1-carbonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C26 H22 Cl N3 O3 |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)NC(/C(=C\c1cccc(c1)[Cl])O2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5178 |
| logD: | 4.5178 |
| logSw: | -4.8313 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.716 |
| InChI Key: | QOCCIXQSVNSBKU-UHFFFAOYSA-N |