8-methoxy-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0586 |
| Compound Name: | 8-methoxy-N-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 237.25 |
| Molecular Formula: | C12 H15 N O4 |
| Smiles: | CNC(c1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8482 |
| logD: | 0.8482 |
| logSw: | -1.7506 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.858 |
| InChI Key: | GNVHUEOMFKGNKO-UHFFFAOYSA-N |