3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0002 |
| Compound Name: | 3-(4-chlorophenyl)-5-{[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole |
| Molecular Weight: | 383.86 |
| Molecular Formula: | C18 H14 Cl N5 O S |
| Smiles: | Cn1c(c2ccccc2)nnc1SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.8533 |
| logD: | 4.8533 |
| logSw: | -5.0089 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.394 |
| InChI Key: | MRNVECAPDLCPDZ-UHFFFAOYSA-N |