3-({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)propanenitrile
Chemical Structure Depiction of
3-({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)propanenitrile
3-({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)propanenitrile
Compound characteristics
| Compound ID: | 8006-1210 |
| Compound Name: | 3-({1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitro-1H-imidazol-5-yl}sulfanyl)propanenitrile |
| Molecular Weight: | 377.38 |
| Molecular Formula: | C15 H15 N5 O5 S |
| Smiles: | Cc1nc(c(n1Cc1ccc(c(c1)[N+]([O-])=O)OC)SCCC#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6992 |
| logD: | 1.6992 |
| logSw: | -2.2532 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.222 |
| InChI Key: | UPFKFKSSGOXYDM-UHFFFAOYSA-N |