2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y202-9920 |
| Compound Name: | 2-{[4-ethyl-5-(1-ethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 401.45 |
| Molecular Formula: | C17 H19 N7 O3 S |
| Smiles: | CCn1c(c2cnn(CC)c2)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3566 |
| logD: | 2.3559 |
| logSw: | -2.7922 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.998 |
| InChI Key: | MIBSRSYCADAXKA-UHFFFAOYSA-N |