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 |