3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V030-1392 |
| Compound Name: | 3-({[4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H23 F N4 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(c1cccc(CSc2nnc(c3ccco3)n2Cc2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0854 |
| logD: | 5.0852 |
| logSw: | -5.2929 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.961 |
| InChI Key: | XGZDJCHFLAATAI-UHFFFAOYSA-N |