ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate--hydrogen bromide (1/1)
ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 5604-0148 |
| Compound Name: | ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 369.28 |
| Molecular Formula: | C12 H20 N2 O4 S |
| Salt: | HBr |
| Smiles: | CCCC1(CC(CSC(N)=N)OC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.4033 |
| logD: | 0.4444 |
| logSw: | -1.7586 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.467 |
| InChI Key: | FVMXZJUGGLQTQM-UHFFFAOYSA-N |