8-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline
Chemical Structure Depiction of
8-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline
8-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline
Compound characteristics
| Compound ID: | 8010-4302 |
| Compound Name: | 8-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline |
| Molecular Weight: | 363.4 |
| Molecular Formula: | C18 H13 N5 O2 S |
| Smiles: | Cn1c(c2ccccc2)nnc1Sc1ccc(c2cccnc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8115 |
| logD: | 3.8115 |
| logSw: | -4.0544 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.665 |
| InChI Key: | SIUYBVVOMRNIJE-UHFFFAOYSA-N |