N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(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-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1878 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-3-yl)-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 396.43 |
| Molecular Formula: | C17 H16 N8 O2 S |
| Smiles: | C(Cn1cc(cn1)[N+]([O-])=O)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.6728 |
| logD: | 2.6723 |
| logSw: | -2.8738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.012 |
| InChI Key: | GIIIBGMPIIUZDQ-UHFFFAOYSA-N |