N-(5-carbamoyl-2-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-carbamoyl-2-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-carbamoyl-2-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-2406 |
| Compound Name: | N-(5-carbamoyl-2-methylphenyl)-8-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C19 H20 N2 O5 |
| Smiles: | Cc1ccc(cc1NC(c1cc2c(cc1OC)OCCCO2)=O)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6804 |
| logD: | 1.677 |
| logSw: | -2.507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.475 |
| InChI Key: | BLMDKHZSHIMRQM-UHFFFAOYSA-N |