5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8544 |
| Compound Name: | 5-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C21 H27 N7 O3 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)c2nnc(n2CCCN2CCOCC2)S)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6503 |
| logD: | 1.3059 |
| logSw: | -1.7936 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.645 |
| InChI Key: | MZRBQENJPQJXBW-UHFFFAOYSA-N |