N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-fluorobenzamide
Chemical Structure Depiction of
N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-fluorobenzamide
N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-fluorobenzamide
Compound characteristics
| Compound ID: | 8018-8858 |
| Compound Name: | N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3-fluorobenzamide |
| Molecular Weight: | 456.27 |
| Molecular Formula: | C22 H15 Br F N O4 |
| Smiles: | C1COc2cc(c(cc2O1)C(c1ccc(cc1)[Br])=O)NC(c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0603 |
| logD: | 3.7586 |
| logSw: | -4.287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.922 |
| InChI Key: | VCCBMERRDXFPFC-UHFFFAOYSA-N |