2-{[5-cyclopropyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-cyclopropyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
2-{[5-cyclopropyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y207-2166 |
| Compound Name: | 2-{[5-cyclopropyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | CC(C)n1c(C2CC2)nnc1SCC(Nc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8473 |
| logD: | 2.8253 |
| logSw: | -3.512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.371 |
| InChI Key: | BUUMWZTXXHBPSX-UHFFFAOYSA-N |