N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1893 |
| Compound Name: | N-(4-acetylphenyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 325.36 |
| Molecular Formula: | C19 H19 N O4 |
| Smiles: | CC(c1ccc(cc1)NC(c1cc2c(cc1C)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4187 |
| logD: | 2.4152 |
| logSw: | -3.0237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.311 |
| InChI Key: | PEUTXDYRFHOXSH-UHFFFAOYSA-N |