3-{[(4-bromophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | Y205-1070 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-methyl-5-(2-phenylethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 388.33 |
| Molecular Formula: | C18 H18 Br N3 S |
| Smiles: | Cn1c(CCc2ccccc2)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.5201 |
| logD: | 4.5201 |
| logSw: | -4.4048 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 26.027 |
| InChI Key: | ALQSAULYGHHZLH-UHFFFAOYSA-N |