N-[(4-fluorophenyl)methyl]-4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V003-4547 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(2-fluorophenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C27 H20 F2 N4 O S2 |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)NC(c1ccc(CSc2nnc(c3cccs3)n2c2ccccc2F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.312 |
| logD: | 5.3119 |
| logSw: | -5.6384 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.843 |
| InChI Key: | IQBZKRIXBNRUNT-UHFFFAOYSA-N |