8-methyl-N-(4-propoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methyl-N-(4-propoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methyl-N-(4-propoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1911 |
| Compound Name: | 8-methyl-N-(4-propoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C20 H23 N O4 |
| Smiles: | CCCOc1ccc(cc1)NC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.836 |
| logD: | 3.8359 |
| logSw: | -3.9141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.902 |
| InChI Key: | PCHDTLIFQXIURK-UHFFFAOYSA-N |