({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)acetonitrile
Chemical Structure Depiction of
({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)acetonitrile
({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)acetonitrile
Compound characteristics
| Compound ID: | 8002-5652 |
| Compound Name: | ({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)acetonitrile |
| Molecular Weight: | 363.35 |
| Molecular Formula: | C14 H13 N5 O5 S |
| Smiles: | Cc1nc(c(n1Cc1ccc(c(c1)[N+]([O-])=O)OC)SCC#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7192 |
| logD: | 1.7192 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.222 |
| InChI Key: | JYXLTNKUKFFNMH-UHFFFAOYSA-N |