N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0500 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C20 H21 N O5 |
| Smiles: | Cc1cc2c(cc1C(Nc1ccc3c(c1)OCCCO3)=O)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.3182 |
| logD: | 2.3177 |
| logSw: | -3.0426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.638 |
| InChI Key: | SCIYBWVTVYJGOJ-UHFFFAOYSA-N |