methyl 1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyridazin-3-yl]-1H-imidazole-4-carboxylate
Chemical Structure Depiction of
methyl 1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyridazin-3-yl]-1H-imidazole-4-carboxylate
methyl 1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyridazin-3-yl]-1H-imidazole-4-carboxylate
Compound characteristics
| Compound ID: | M494-0907 |
| Compound Name: | methyl 1-[6-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)pyridazin-3-yl]-1H-imidazole-4-carboxylate |
| Molecular Weight: | 413.41 |
| Molecular Formula: | C18 H15 N5 O5 S |
| Smiles: | COC(c1cn(cn1)c1ccc(nn1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9966 |
| logD: | 1.9966 |
| logSw: | -2.6737 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.211 |
| InChI Key: | AVUBTMZZBKRDPM-UHFFFAOYSA-N |