3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-9805 |
| Compound Name: | 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C26 H25 F N4 O S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(C)cc2)nnc1SCc1cccc(c1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3953 |
| logD: | 5.395 |
| logSw: | -5.372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.379 |
| InChI Key: | XELBSOCSECRKTM-UHFFFAOYSA-N |