ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-5-(thiocyanato)hexanoate
Chemical Structure Depiction of
ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-5-(thiocyanato)hexanoate
ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-5-(thiocyanato)hexanoate
Compound characteristics
| Compound ID: | C393-0024 |
| Compound Name: | ethyl 6-(5-methyl-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxo-5-(thiocyanato)hexanoate |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C13 H17 N3 O4 S |
| Smiles: | CCOC(CCCC(C(C1=C(C)NC(N1)=O)=O)SC#N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1358 |
| logD: | -1.9593 |
| logSw: | -2.089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.192 |
| InChI Key: | FQGYNFHCOWFHIL-VIFPVBQESA-N |