N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
Compound characteristics
| Compound ID: | Y044-0897 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CC(Nc2ccc3c(c2)OCCCO3)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.2705 |
| logD: | 3.2704 |
| logSw: | -3.5317 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.76 |
| InChI Key: | JBAAQYHAKBEXHP-UHFFFAOYSA-N |