N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0411 |
| Compound Name: | N-[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C20 H21 N O5 |
| Smiles: | C1COc2ccc(CNC(c3ccc4c(c3)OCCCO4)=O)cc2OC1 |
| Stereo: | ACHIRAL |
| logP: | 1.7393 |
| logD: | 1.7393 |
| logSw: | -2.0655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.96 |
| InChI Key: | KLQJSGPHIARFNU-UHFFFAOYSA-N |