2-[2-(5-bromo-2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-[2-(5-bromo-2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one
2-[2-(5-bromo-2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 6468-0816 |
| Compound Name: | 2-[2-(5-bromo-2-methoxyphenyl)ethenyl]-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 358.19 |
| Molecular Formula: | C17 H12 Br N O3 |
| Smiles: | COc1ccc(cc1/C=C/C1=Nc2ccccc2C(=O)O1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1766 |
| logD: | 4.1766 |
| logSw: | -4.4679 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.962 |
| InChI Key: | YTMDMUVBKHIVJT-UHFFFAOYSA-N |