7-(2-amino-2-oxoethyl)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
Chemical Structure Depiction of
7-(2-amino-2-oxoethyl)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
7-(2-amino-2-oxoethyl)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C169-0374 |
| Compound Name: | 7-(2-amino-2-oxoethyl)-3-[(2H-1,3-benzodioxol-5-yl)amino]-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-7-ium--iodide (1/1) |
| Molecular Weight: | 545.34 |
| Molecular Formula: | C22 H20 N5 O4 |
| Salt: | I- |
| Smiles: | COc1ccc(cc1)c1c(Nc2ccc3c(c2)OCO3)n2cc[n+](CC(N)=O)cc2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.363 |
| logD: | 2.363 |
| logSw: | -3.0258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.683 |
| InChI Key: | LXGOYQHSZGADRP-UHFFFAOYSA-O |