N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-1316 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C18 H18 Cl N7 S |
| Smiles: | Cc1cc(C)n(Cc2nnc(Nc3ccn(Cc4ccccc4[Cl])n3)s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2414 |
| logD: | 3.2376 |
| logSw: | -3.4786 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.882 |
| InChI Key: | ZYCQUKMHUCEVRE-UHFFFAOYSA-N |