3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
Chemical Structure Depiction of
3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide
Compound characteristics
| Compound ID: | 8019-4255 |
| Compound Name: | 3-bromo-N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide |
| Molecular Weight: | 404.26 |
| Molecular Formula: | C19 H18 Br N O4 |
| Smiles: | Cc1ccc(cc1)C(c1cc2c(cc1NC(CC[Br])=O)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5155 |
| logD: | 2.5138 |
| logSw: | -3.1215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.98 |
| InChI Key: | KCOHNHUAXZBBSB-UHFFFAOYSA-N |