1-(3-nitrophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3-nitrophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3-nitrophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-6407 |
| Compound Name: | 1-(3-nitrophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1cccc(c1)[N+]([O-])=O)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3638 |
| logD: | 4.3638 |
| logSw: | -4.5297 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.816 |
| InChI Key: | KXKQJXLFYXUTCG-UHFFFAOYSA-N |