N-(2-carbamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(2-carbamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(2-carbamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1875 |
| Compound Name: | N-(2-carbamoylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | C1COc2ccc(cc2OC1)C(Nc1ccccc1C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3375 |
| logD: | 1.3369 |
| logSw: | -2.3603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.845 |
| InChI Key: | DUKXDSLACHDLBG-UHFFFAOYSA-N |