N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-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-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8192 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H21 F N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1ccc(cc1)F)SCc1ccccc1C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2088 |
| logD: | 4.2088 |
| logSw: | -4.279 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.29 |
| InChI Key: | CHIFTLIKLNGMBE-UHFFFAOYSA-N |