5-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8538 |
| Compound Name: | 5-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C19 H25 N7 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(c3nnc(n3CCCN3CCOCC3)S)o2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0954 |
| logD: | 0.8125 |
| logSw: | -1.8799 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.487 |
| InChI Key: | CVZMVYZGEVDIAU-UHFFFAOYSA-N |