N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-3765 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 526.54 |
| Molecular Formula: | C26 H21 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)C(F)(F)F)SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0056 |
| logD: | 5.0056 |
| logSw: | -4.652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.29 |
| InChI Key: | ZIQATJYRUKZGOR-UHFFFAOYSA-N |