N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-4430 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C28 H21 F N4 O4 S |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CSc2nnc(c3ccco3)n2c2ccccc2F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4251 |
| logD: | 4.4251 |
| logSw: | -4.4514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.519 |
| InChI Key: | GBEOCGROMAOASS-UHFFFAOYSA-N |