4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-3862 |
| Compound Name: | 4-({[4-ethyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C22 H25 F N4 O S |
| Smiles: | CCn1c(C(C)C)nnc1SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8403 |
| logD: | 3.8388 |
| logSw: | -3.8983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.65 |
| InChI Key: | HLEPZFBBSQGCOY-UHFFFAOYSA-N |