2-(4-bromophenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(4-bromophenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(4-bromophenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1501 |
| Compound Name: | 2-(4-bromophenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 422.27 |
| Molecular Formula: | C19 H20 Br N O5 |
| Smiles: | COc1cc2c(cc1CNC(COc1ccc(cc1)[Br])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.9667 |
| logD: | 2.9667 |
| logSw: | -3.2521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.722 |
| InChI Key: | YIQILYYVAFRTEQ-UHFFFAOYSA-N |