3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Chemical Structure Depiction of
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y508-7591 |
| Compound Name: | 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C25 H22 Br N O5 |
| Smiles: | COc1ccc(\C=C/C(Nc2ccc3c(c2)OCCO3)=O)cc1COc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9317 |
| logD: | 4.9314 |
| logSw: | -4.7306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.797 |
| InChI Key: | MLPJOQUQUJCTHT-UHFFFAOYSA-N |