N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | Y503-3537 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-1H-pyrazol-3-yl}-5-(1,5-dimethyl-4-nitro-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 430.87 |
| Molecular Formula: | C17 H15 Cl N8 O2 S |
| Smiles: | Cc1c(c(c2nnc(Nc3ccn(Cc4ccccc4[Cl])n3)s2)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4914 |
| logD: | 3.4914 |
| logSw: | -3.7391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.193 |
| InChI Key: | RRNMBEAPZYWNJQ-UHFFFAOYSA-N |