N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
Chemical Structure Depiction of
N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide
Compound characteristics
| Compound ID: | Y505-3062 |
| Compound Name: | N-{4-bromo-1-[(4-chlorophenyl)methyl]-1H-pyrazol-3-yl}-4-methyl-1,2,3-thiadiazole-5-carboxamide |
| Molecular Weight: | 412.69 |
| Molecular Formula: | C14 H11 Br Cl N5 O S |
| Smiles: | Cc1c(C(Nc2c(cn(Cc3ccc(cc3)[Cl])n2)[Br])=O)snn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0071 |
| logD: | 2.2012 |
| logSw: | -3.539 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.694 |
| InChI Key: | UQHIEFMPIYDAON-UHFFFAOYSA-N |