3-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5299 |
| Compound Name: | 3-[1-(4-tert-butylphenoxy)ethyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C19 H24 N6 O3 S |
| Smiles: | CC(c1nnc(n1C)SCn1cc(cn1)[N+]([O-])=O)Oc1ccc(cc1)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9765 |
| logD: | 3.9765 |
| logSw: | -3.8997 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.127 |
| InChI Key: | VHGCBENKLLFEID-ZDUSSCGKSA-N |