8-methoxy-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
8-methoxy-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
8-methoxy-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1937 |
| Compound Name: | 8-methoxy-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C19 H21 N O4 |
| Smiles: | Cc1ccc(CNC(c2cc3c(cc2OC)OCCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1469 |
| logD: | 3.1468 |
| logSw: | -3.3061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.436 |
| InChI Key: | YHRVBSFTVONCOU-UHFFFAOYSA-N |