6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F389-0037 |
| Compound Name: | 6-(azepane-1-carbonyl)-2-[(4-chlorophenyl)methylidene]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C22 H21 Cl N2 O3 |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)NC(/C(=C/c1ccc(cc1)[Cl])O2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4342 |
| logD: | 4.4342 |
| logSw: | -4.9295 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.787 |
| InChI Key: | XMUVVLSNELBCLF-UHFFFAOYSA-N |