5-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-nitroquinoline
Chemical Structure Depiction of
5-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-nitroquinoline
5-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-nitroquinoline
Compound characteristics
| Compound ID: | 8009-3652 |
| Compound Name: | 5-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-8-nitroquinoline |
| Molecular Weight: | 425.47 |
| Molecular Formula: | C23 H15 N5 O2 S |
| Smiles: | c1ccc(cc1)c1nnc(n1c1ccccc1)Sc1ccc(c2c1cccn2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0066 |
| logD: | 5.0066 |
| logSw: | -5.2008 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.326 |
| InChI Key: | LLGPESOSISBEEW-UHFFFAOYSA-N |