7-(2-amino-2-oxoethyl)-3-(cyclopentylamino)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
Chemical Structure Depiction of
7-(2-amino-2-oxoethyl)-3-(cyclopentylamino)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
7-(2-amino-2-oxoethyl)-3-(cyclopentylamino)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium--iodide (1/1)
Compound characteristics
| Compound ID: | C169-0331 |
| Compound Name: | 7-(2-amino-2-oxoethyl)-3-(cyclopentylamino)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium--iodide (1/1) |
| Molecular Weight: | 509.41 |
| Molecular Formula: | C20 H24 N5 O S |
| Salt: | I- |
| Smiles: | CSc1ccc(cc1)c1c(NC2CCCC2)n2cc[n+](CC(N)=O)cc2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8842 |
| logD: | 2.8842 |
| logSw: | -3.3807 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.437 |
| InChI Key: | WEBCBCMKPSZDGA-UHFFFAOYSA-O |