HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59568614Generated: October 26, 2026
(S)-tert-Butyl 4-(1-cyano-2-(4-iodophenyl)ethylcarbamoyl)tetrahydro-2H-pyran-4-ylcarbamate
https://huagongshe.com/en/chemical/59568614
Identifiers & Physical Properties
| Molecular formula | C20H26IN3O4 |
|---|
| Average molar mass | 499.3 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)NC1(C(=O)N[C@H](C#N)Cc2ccc(I)cc2)CCOCC1 |
|---|
| InChIKey | KPQYGDZZIXSOLG-INIZCTEOSA-N |
|---|
| PubChem CID | 59568614 |
|---|
Chemical & Physical Properties
| XLogP | 2.9 |
|---|
| Topological polar surface area | 100 |
|---|
| Hydrogen bond donors | 2 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 7 |
|---|
| Heavy atoms | 28 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 596 |
|---|
