N-[(4-fluorophenyl)methyl]-4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-[(4-fluorophenyl)methyl]-4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-5580 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-[({5-(propan-2-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 528.57 |
| Molecular Formula: | C27 H24 F4 N4 O S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6243 |
| logD: | 5.6237 |
| logSw: | -5.5229 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.397 |
| InChI Key: | LRTGIWJWWTYVLD-UHFFFAOYSA-N |