4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
Chemical Structure Depiction of
4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
Compound characteristics
| Compound ID: | V024-9404 |
| Compound Name: | 4-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C25 H23 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccc(cc1)C(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2706 |
| logD: | 5.2705 |
| logSw: | -5.1668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.438 |
| InChI Key: | LITDJMJFDWHJMJ-UHFFFAOYSA-N |