N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methoxybenzamide
N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | 3386-0183 |
| Compound Name: | N-[7-(2-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-methoxybenzamide |
| Molecular Weight: | 468.3 |
| Molecular Formula: | C23 H18 Br N O5 |
| Smiles: | COc1cccc(c1)C(Nc1cc2c(cc1C(c1ccccc1[Br])=O)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7538 |
| logD: | 3.6493 |
| logSw: | -4.1877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.466 |
| InChI Key: | ATCUKQVVCYLOAW-UHFFFAOYSA-N |