2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V004-3429 |
| Compound Name: | 2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C21 H21 N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CC(CNC(CSc2nnc(c3ccc(cc3)[N+]([O-])=O)n2c2ccccc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7285 |
| logD: | 2.7285 |
| logSw: | -3.2605 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.22 |
| InChI Key: | DVBXPMKJYAEZNW-GOSISDBHSA-N |