N-[2-(3,4-dimethylphenoxy)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethylphenoxy)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[2-(3,4-dimethylphenoxy)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2402 |
| Compound Name: | N-[2-(3,4-dimethylphenoxy)ethyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 355.43 |
| Molecular Formula: | C21 H25 N O4 |
| Smiles: | Cc1ccc(cc1C)OCCNC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2689 |
| logD: | 4.2689 |
| logSw: | -4.2452 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.065 |
| InChI Key: | ASOGGIDNPKTVHW-UHFFFAOYSA-N |