ethyl S-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}cysteinate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl S-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}cysteinate--hydrogen chloride (1/1)
ethyl S-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}cysteinate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4514-1052 |
| Compound Name: | ethyl S-{1-[4-(hexyloxy)phenyl]-2,5-dioxopyrrolidin-3-yl}cysteinate--hydrogen chloride (1/1) |
| Molecular Weight: | 459 |
| Molecular Formula: | C21 H30 N2 O5 S |
| Salt: | HCl |
| Smiles: | CCCCCCOc1ccc(cc1)N1C(CC(C1=O)SCC(C(=O)OCC)N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3114 |
| logD: | 2.2829 |
| logSw: | -2.7532 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.389 |
| InChI Key: | NOBGEUNIDGHZMI-UHFFFAOYSA-N |