N-ethyl-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-ethyl-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-ethyl-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0506 |
| Compound Name: | N-ethyl-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C13 H17 N O3 |
| Smiles: | CCNC(c1cc2c(cc1C)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4796 |
| logD: | 1.4796 |
| logSw: | -1.9974 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.703 |
| InChI Key: | JQWFOYBOSDHHIG-UHFFFAOYSA-N |