4-{[3-(2-methyl-1H-imidazol-1-yl)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Chemical Structure Depiction of
4-{[3-(2-methyl-1H-imidazol-1-yl)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
4-{[3-(2-methyl-1H-imidazol-1-yl)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile
Compound characteristics
| Compound ID: | 8016-7340 |
| Compound Name: | 4-{[3-(2-methyl-1H-imidazol-1-yl)propyl]amino}-5-nitrobenzene-1,2-dicarbonitrile |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C15 H14 N6 O2 |
| Smiles: | Cc1nccn1CCCNc1cc(C#N)c(C#N)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5014 |
| logD: | 0.2808 |
| logSw: | -2.2513 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.346 |
| InChI Key: | BLAMOELWNCEKFM-UHFFFAOYSA-N |