N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Chemical Structure Depiction of
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Compound characteristics
| Compound ID: | J031-1208 |
| Compound Name: | N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C20 H21 N O5 |
| Smiles: | Cc1cc2c(cc1CNC(c1ccc3c(c1)OCCO3)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.5896 |
| logD: | 1.5896 |
| logSw: | -2.0662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.629 |
| InChI Key: | XAHCFDMFXRABIR-UHFFFAOYSA-N |