2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C311-1598 |
| Compound Name: | 2-[(3-bromo-4-methoxyphenyl)methylidene]-4-[2-(morpholin-4-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 473.32 |
| Molecular Formula: | C22 H21 Br N2 O5 |
| Smiles: | COc1ccc(\C=C2/C(N(CC(N3CCOCC3)=O)c3ccccc3O2)=O)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.5451 |
| logD: | 2.5451 |
| logSw: | -2.8976 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.964 |
| InChI Key: | NCRLDBQVRYXSHH-UHFFFAOYSA-N |