3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-2638 |
| Compound Name: | 3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-4H-1,2,4-triazole |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C11 H12 N4 O4 S2 |
| Smiles: | CCS(c1ccc(c(c1)[N+]([O-])=O)Sc1nncn1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4953 |
| logD: | 1.4953 |
| logSw: | -2.4027 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.849 |
| InChI Key: | HIKQHKVDDXOZHS-UHFFFAOYSA-N |