N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-3534 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-[1-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 444.9 |
| Molecular Formula: | C18 H17 Cl N8 O2 S |
| Smiles: | CC(c1nnc(Nc2ccn(Cc3ccccc3[Cl])n2)s1)n1c(C)cc(n1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5086 |
| logD: | 3.5081 |
| logSw: | -3.776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.514 |
| InChI Key: | CGQGXTYRZORXPW-LBPRGKRZSA-N |