N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(methoxymethyl)-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-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V006-7334 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[4-(2-fluorophenyl)-5-(methoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C26 H23 F N4 O4 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1c1ccccc1F)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2472 |
| logSw: | -3.6558 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.612 |
| InChI Key: | DMNYCKRFRRAYOE-UHFFFAOYSA-N |