ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate--hydrogen chloride (1/1)
ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C393-0022 |
| Compound Name: | ethyl 6-{5-[(carbamimidoylsulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate--hydrogen chloride (1/1) |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C13 H20 N4 O4 S |
| Salt: | HCl |
| Smiles: | CCOC(CCCCC(C1=C(CSC(N)=N)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0091 |
| logD: | -0.0091 |
| logSw: | -1.4936 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 109.282 |
| InChI Key: | GKLLFPWLYDCIEU-UHFFFAOYSA-N |