N-(1-benzyl-1H-pyrazol-3-yl)-5-{3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-(1-benzyl-1H-pyrazol-3-yl)-5-{3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,3,4-thiadiazol-2-amine
N-(1-benzyl-1H-pyrazol-3-yl)-5-{3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-3586 |
| Compound Name: | N-(1-benzyl-1H-pyrazol-3-yl)-5-{3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C22 H18 N8 O2 S |
| Smiles: | C(c1cccc(c1)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9854 |
| logD: | 3.9854 |
| logSw: | -4.1876 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.267 |
| InChI Key: | FUWICUIEQZQQOG-UHFFFAOYSA-N |