2-(4-chloro-3-methylphenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Chemical Structure Depiction of
2-(4-chloro-3-methylphenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
2-(4-chloro-3-methylphenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Compound characteristics
| Compound ID: | J031-1507 |
| Compound Name: | 2-(4-chloro-3-methylphenoxy)-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide |
| Molecular Weight: | 391.85 |
| Molecular Formula: | C20 H22 Cl N O5 |
| Smiles: | Cc1cc(ccc1[Cl])OCC(NCc1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4122 |
| logD: | 3.4122 |
| logSw: | -3.5183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.722 |
| InChI Key: | ZLJXAWXDJOLEAQ-UHFFFAOYSA-N |