2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y044-1087 |
| Compound Name: | 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C23 H22 N2 O6 |
| Smiles: | COc1ccc(cc1OC)C1C=CC(N(CC(c2ccc3c(c2)OCCCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2597 |
| logD: | 2.2597 |
| logSw: | -2.7529 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.21 |
| InChI Key: | LXBADDZNGPZTBE-UHFFFAOYSA-N |