5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5655 |
| Compound Name: | 5-[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C15 H23 N7 O3 S |
| Smiles: | Cc1cc(nn1CCc1nnc(n1CCCN1CCOCC1)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.2826 |
| logD: | -0.6856 |
| logSw: | -0.7467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.584 |
| InChI Key: | SCQFVXLMKGXSIM-UHFFFAOYSA-N |