N-(propan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(propan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(propan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0471 |
| Compound Name: | N-(propan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 235.28 |
| Molecular Formula: | C13 H17 N O3 |
| Smiles: | CC(C)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3717 |
| logD: | 1.3717 |
| logSw: | -2.0449 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.052 |
| InChI Key: | XLQKRBZYONOJKU-UHFFFAOYSA-N |