N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V028-2071 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[4-(2-methoxyethyl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 521.57 |
| Molecular Formula: | C26 H24 F N5 O4 S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1789 |
| logD: | 4.1788 |
| logSw: | -4.2207 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.356 |
| InChI Key: | WZUDQUDTLJMFAS-UHFFFAOYSA-N |