N-[2-(4-chlorophenoxy)ethyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenoxy)ethyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-(4-chlorophenoxy)ethyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0633 |
| Compound Name: | N-[2-(4-chlorophenoxy)ethyl]-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 377.82 |
| Molecular Formula: | C19 H20 Cl N O5 |
| Smiles: | COc1cc2c(cc1C(NCCOc1ccc(cc1)[Cl])=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.7104 |
| logD: | 3.7104 |
| logSw: | -4.2166 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.696 |
| InChI Key: | BKBLWKHCEZFBEJ-UHFFFAOYSA-N |