3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | K822-0092 |
| Compound Name: | 3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(3-nitrophenyl)-4H-1,2,4-triazole |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9319 |
| logD: | 4.9319 |
| logSw: | -4.7714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.347 |
| InChI Key: | JMCSEYDWQQUIOF-UHFFFAOYSA-N |