1-[4-tert-butyl-1-(3,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-tert-butyl-1-(3,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
1-[4-tert-butyl-1-(3,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one
Compound characteristics
Compound ID: | 5868-0448 |
Compound Name: | 1-[4-tert-butyl-1-(3,4-dimethylphenyl)-5-(5-nitrofuran-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethan-1-one |
Molecular Weight: | 384.43 |
Molecular Formula: | C20 H24 N4 O4 |
Smiles: | CC(C1=NN(C(c2ccc([N+]([O-])=O)o2)N1C(C)(C)C)c1ccc(C)c(C)c1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7496 |
logD: | 4.7496 |
logSw: | -4.6738 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 74.31 |
InChI Key: | CNXMGYOHQPZJTP-IBGZPJMESA-N |