N-(2-methoxyethyl)-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-methoxyethyl)-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V026-8407 |
| Compound Name: | N-(2-methoxyethyl)-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C29 H33 N5 O6 |
| Salt: | not_available |
| Smiles: | COCCN(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6866 |
| logD: | 2.6828 |
| logSw: | -2.9805 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.348 |
| InChI Key: | RSKGYKDWHZEPLI-UHFFFAOYSA-N |