N-(3-acetylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-acetylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1845 |
| Compound Name: | N-(3-acetylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | CC(c1cccc(c1)NC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2927 |
| logD: | 2.2923 |
| logSw: | -2.9279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.311 |
| InChI Key: | ITQFDHUBZHTPMC-UHFFFAOYSA-N |