N-(4-acetamidophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-acetamidophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-acetamidophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1840 |
| Compound Name: | N-(4-acetamidophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | CC(Nc1ccc(cc1)NC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.753 |
| logD: | 1.753 |
| logSw: | -2.2461 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.746 |
| InChI Key: | QPVMQEASXNBXNV-UHFFFAOYSA-N |