4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Chemical Structure Depiction of
4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide
Compound characteristics
| Compound ID: | V025-5452 |
| Compound Name: | 4-({[4-ethyl-5-(2-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methoxyethyl)benzamide |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5213 |
| logD: | 2.5213 |
| logSw: | -2.8762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.915 |
| InChI Key: | KAQWJDUNJIFWID-UHFFFAOYSA-N |