N-(4-fluorophenyl)-4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(4-fluorophenyl)-4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V015-1615 |
| Compound Name: | N-(4-fluorophenyl)-4-({[4-(4-fluorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C27 H19 F2 N5 O S |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)C(Nc1ccc(cc1)F)=O)Sc1nnc(c2ccncc2)n1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.7522 |
| logD: | 4.7469 |
| logSw: | -4.6764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.232 |
| InChI Key: | NGUBXAHEVUGICZ-UHFFFAOYSA-N |