N-(3-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
Compound ID: | J031-1865 |
Compound Name: | N-(3-bromophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
Molecular Weight: | 348.19 |
Molecular Formula: | C16 H14 Br N O3 |
Smiles: | C1COc2ccc(cc2OC1)C(Nc1cccc(c1)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.3599 |
logD: | 3.3592 |
logSw: | -3.4611 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.484 |
InChI Key: | LWCAZWYFGBFIAZ-UHFFFAOYSA-N |