3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-5266 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1C)SCn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2624 |
| logD: | 3.2624 |
| logSw: | -3.2453 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.813 |
| InChI Key: | AYXURASQDZRPSF-UHFFFAOYSA-N |