N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1928 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C18 H18 N8 O3 S |
| Smiles: | COc1c(cn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0305 |
| logD: | 3.0301 |
| logSw: | -3.3637 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.789 |
| InChI Key: | ZMXGVSYWYUHQLV-UHFFFAOYSA-N |