N-cyclohexyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclohexyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F019-0391 |
| Compound Name: | N-cyclohexyl-2-{[5-(4-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | C1CCC(CC1)NC(CSc1nnc(c2ccc(cc2)[N+]([O-])=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4876 |
| logD: | 4.4876 |
| logSw: | -4.3912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.291 |
| InChI Key: | JYHVYLSNXOEFSD-UHFFFAOYSA-N |