N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8430-1496 |
| Compound Name: | N-[3-(5-{[2-(2-chloro-5-nitrophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)phenyl]acetamide |
| Molecular Weight: | 459.91 |
| Molecular Formula: | C20 H18 Cl N5 O4 S |
| Smiles: | CCn1c(c2cccc(c2)NC(C)=O)nnc1SCC(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0754 |
| logD: | 4.0754 |
| logSw: | -4.5455 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.856 |
| InChI Key: | NNFIIYBJHSIDSM-UHFFFAOYSA-N |