N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V024-8250 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 514.53 |
| Molecular Formula: | C27 H19 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C1Oc2ccc(cc2O1)NC(c1ccc(CSc2nnc(c3ccco3)n2c2ccccc2F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6792 |
| logD: | 4.6775 |
| logSw: | -4.7603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.197 |
| InChI Key: | RQHVTXORYRNFLX-UHFFFAOYSA-N |