N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7447 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C21 H23 F N4 O2 S |
| Smiles: | Cc1nnc(n1CCOC)SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2168 |
| logD: | 2.2167 |
| logSw: | -2.468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.023 |
| InChI Key: | XGYVVVHMWDHKAI-UHFFFAOYSA-N |