2-{[5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-4235 |
| Compound Name: | 2-{[5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C19 H17 Cl N4 O3 S2 |
| Smiles: | Cn1c(CSCc2ccccc2[Cl])nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2128 |
| logD: | 4.2128 |
| logSw: | -4.4043 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.655 |
| InChI Key: | NLULGAPWWSMOBR-UHFFFAOYSA-N |