4-tert-butylcyclohexyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Chemical Structure Depiction of
4-tert-butylcyclohexyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
4-tert-butylcyclohexyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
Compound characteristics
| Compound ID: | 6228-0800 |
| Compound Name: | 4-tert-butylcyclohexyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C14 H22 N4 O4 |
| Smiles: | CC(C)(C)C1CCC(CC1)OC(Cn1cnc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1276 |
| logD: | 3.1276 |
| logSw: | -2.7603 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.395 |
| InChI Key: | DJYKREWLJFTORF-UHFFFAOYSA-N |