ethyl 6-oxo-6-{2-oxo-5-[(thiocyanato)methyl]-2,3-dihydro-1H-imidazol-4-yl}hexanoate
Chemical Structure Depiction of
ethyl 6-oxo-6-{2-oxo-5-[(thiocyanato)methyl]-2,3-dihydro-1H-imidazol-4-yl}hexanoate
ethyl 6-oxo-6-{2-oxo-5-[(thiocyanato)methyl]-2,3-dihydro-1H-imidazol-4-yl}hexanoate
Compound characteristics
| Compound ID: | C393-0023 |
| Compound Name: | ethyl 6-oxo-6-{2-oxo-5-[(thiocyanato)methyl]-2,3-dihydro-1H-imidazol-4-yl}hexanoate |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C13 H17 N3 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSC#N)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8505 |
| logD: | -2.2446 |
| logSw: | -1.7934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.307 |
| InChI Key: | NEUHSUAEYDKQLN-UHFFFAOYSA-N |