2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7858 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C20 H15 Cl N6 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc(c2ccc(cc2)[Cl])n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4813 |
| logD: | 4.4799 |
| logSw: | -4.8483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.677 |
| InChI Key: | XZJQZVHSABILLF-UHFFFAOYSA-N |