2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 8430-1439 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethan-1-one |
| Molecular Weight: | 402.86 |
| Molecular Formula: | C18 H15 Cl N4 O3 S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.477 |
| logD: | 4.477 |
| logSw: | -4.6881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.594 |
| InChI Key: | RHGSNPRGFUZIQU-UHFFFAOYSA-N |