2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | F235-1994 |
| Compound Name: | 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C22 H16 N4 O3 S |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6138 |
| logD: | 4.6138 |
| logSw: | -4.6565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.341 |
| InChI Key: | GNKYQTIVAYFCTP-UHFFFAOYSA-N |