N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1157 |
| Compound Name: | N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C21 H23 N O6 |
| Smiles: | COc1cc2c(cc1CNC(c1ccc3c(c1)OCCCO3)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.7719 |
| logD: | 1.7719 |
| logSw: | -2.1044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.59 |
| InChI Key: | AHHMMIWRRJVFSG-UHFFFAOYSA-N |