8-methoxy-N-(3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-(3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-(3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0602 |
| Compound Name: | 8-methoxy-N-(3-methylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | Cc1cccc(c1)NC(c1cc2c(cc1OC)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1197 |
| logD: | 3.1196 |
| logSw: | -3.3155 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.114 |
| InChI Key: | NBTYKGNAXGEIHE-UHFFFAOYSA-N |