3-(2,6-dichlorophenyl)-5-methyl-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]-1,2-oxazole-4-carboxamide
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | 5182-2109 |
| Compound Name: | 3-(2,6-dichlorophenyl)-5-methyl-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 476.38 |
| Molecular Formula: | C21 H19 Cl2 N5 O2 S |
| Smiles: | Cc1c(C(NC(N2CCN(CC2)c2ccccn2)=S)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0348 |
| logD: | 4.0229 |
| logSw: | -4.6036 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.047 |
| InChI Key: | VNPHZZDVRXABMQ-UHFFFAOYSA-N |