methyl 4-{3-[(2-amino-3-ethoxy-3-oxopropyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{3-[(2-amino-3-ethoxy-3-oxopropyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate--hydrogen chloride (1/1)
methyl 4-{3-[(2-amino-3-ethoxy-3-oxopropyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8009-5056 |
| Compound Name: | methyl 4-{3-[(2-amino-3-ethoxy-3-oxopropyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C17 H20 N2 O6 S |
| Salt: | HCl |
| Smiles: | CCOC(C(CSC1CC(N(C1=O)c1ccc(cc1)C(=O)OC)=O)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.0762 |
| logD: | -0.1048 |
| logSw: | -1.7984 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.145 |
| InChI Key: | XSBGTWOLYHUERP-UHFFFAOYSA-N |