2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8014-7043 |
| Compound Name: | 2-{[5-(2-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 433.28 |
| Molecular Formula: | C17 H13 Br N4 O3 S |
| Smiles: | Cn1c(c2ccccc2[Br])nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3522 |
| logD: | 3.3522 |
| logSw: | -3.9003 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.679 |
| InChI Key: | SMDDJTSKZBBJFC-UHFFFAOYSA-N |