4-bromo-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide
Chemical Structure Depiction of
4-bromo-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide
4-bromo-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide
Compound characteristics
| Compound ID: | J031-1109 |
| Compound Name: | 4-bromo-N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]benzamide |
| Molecular Weight: | 362.22 |
| Molecular Formula: | C17 H16 Br N O3 |
| Smiles: | C1COc2ccc(CNC(c3ccc(cc3)[Br])=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0423 |
| logD: | 3.0423 |
| logSw: | -3.2034 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.806 |
| InChI Key: | YNULMMPRNXXCHB-UHFFFAOYSA-N |