N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V026-7537 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C27 H25 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(cc1)F)SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5181 |
| logD: | 5.518 |
| logSw: | -5.3943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.513 |
| InChI Key: | JENOSRJDHKWWBG-UHFFFAOYSA-N |