N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-1,3,4-thiadiazol-2-amine
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-3531 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 482.91 |
| Molecular Formula: | C20 H15 Cl N8 O3 S |
| Smiles: | C(c1ccccc1[Cl])n1ccc(Nc2nnc(c3ccc(Cn4cc(cn4)[N+]([O-])=O)o3)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.2597 |
| logD: | 4.2597 |
| logSw: | -4.4303 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.108 |
| InChI Key: | NUURLLSRCGWNNX-UHFFFAOYSA-N |