ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 2765-0618 |
| Compound Name: | ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 425.38 |
| Molecular Formula: | C16 H28 N2 O4 S |
| Salt: | HBr |
| Smiles: | CCCCCCCC1(CC(CSC(N)=N)OC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4572 |
| logD: | 2.4983 |
| logSw: | -3.5367 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.467 |
| InChI Key: | ABCDBOKKOWMMLP-UHFFFAOYSA-N |