2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one
2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-4914 |
| Compound Name: | 2-{[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C26 H18 F N3 O S |
| Smiles: | C(C(c1cccc2ccccc12)=O)Sc1nnc(c2cccc(c2)F)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0124 |
| logD: | 6.0123 |
| logSw: | -7.0871 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.688 |
| InChI Key: | XGDKQJPGCLAYEQ-UHFFFAOYSA-N |