1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyridazin-3-yl}-N-methyl-1H-imidazole-4-carboxamide
Chemical Structure Depiction of
1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyridazin-3-yl}-N-methyl-1H-imidazole-4-carboxamide
1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyridazin-3-yl}-N-methyl-1H-imidazole-4-carboxamide
Compound characteristics
| Compound ID: | M495-0948 |
| Compound Name: | 1-{6-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)sulfanyl]pyridazin-3-yl}-N-methyl-1H-imidazole-4-carboxamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C19 H18 N6 O4 S |
| Smiles: | CNC(c1cn(cn1)c1ccc(nn1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1928 |
| logD: | 1.1928 |
| logSw: | -2.309 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.195 |
| InChI Key: | LFXDGOUUVJANSL-UHFFFAOYSA-N |